acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one

C38H57N9O7 — CID 178020190

About acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one

acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one (PubChem CID 178020190) has the molecular formula C38H57N9O7 and a molecular weight of 751.93 g/mol. Its IUPAC name is acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one
• PubChem CID: 178020190
• Molecular Formula: C38H57N9O7
• Molecular Weight: 751.93 g/mol
• Exact Mass: 751.44
• IUPAC Name: acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one
• SMILES: CC1CCC(=O)N1.CC=O.CN1Cc2cccc(CN(N)/C=C(\N)CN)c2C1.COc1cc(CNC(=O)C(=O)C2CCCN2C(=O)CNC=O)ccc1C
• InChI: InChI=1S/C18H23N3O5.C13H21N5.C5H9NO.C2H4O/c1-12-5-6-13(8-15(12)26-2)9-20-18(25)17(24)14-4-3-7-21(14)16(23)10-19-11-22;1-17-6-10-3-2-4-11(13(10)9-17)7-18(16)8-12(15)5-14;1-4-2-3-5(7)6-4;1-2-3/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3,(H,19,22)(H,20,25);2-4,8H,5-7,9,14-16H2,1H3;4H,2-3H2,1H3,(H,6,7);2H,1H3/b;12-8-
• InChIKey: WFWFWAXNXQZSOQ-WSJIGNKESA-N
• XLogP: 0.48
• TPSA: 235.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	751.93
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one?

The IUPAC name of acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one (CID 178020190) is acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one.

What is the SMILES notation for acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one?

The canonical SMILES for acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one is CC1CCC(=O)N1.CC=O.CN1Cc2cccc(CN(N)/C=C(\N)CN)c2C1.COc1cc(CNC(=O)C(=O)C2CCCN2C(=O)CNC=O)ccc1C.

What is the InChIKey of acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one?

The InChIKey is WFWFWAXNXQZSOQ-WSJIGNKESA-N. The full InChI is InChI=1S/C18H23N3O5.C13H21N5.C5H9NO.C2H4O/c1-12-5-6-13(8-15(12)26-2)9-20-18(25)17(24)14-4-3-7-21(14)16(23)10-19-11-22;1-17-6-10-3-2-4-11(13(10)9-17)7-18(16)8-12(15)5-14;1-4-2-3-5(7)6-4;1-2-3/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3,(H,19,22)(H,20,25);2-4,8H,5-7,9,14-16H2,1H3;4H,2-3H2,1H3,(H,6,7);2H,1H3/b;12-8-;;.

What are the key properties of acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one?

acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one has a molecular weight of 751.93 g/mol, XLogP of 0.48, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;(Z)-3-[amino-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]amino]prop-2-ene-1,2-diamine;2-[1-(2-formamidoacetyl)pyrrolidin-2-yl]-N-[(3-methoxy-4-methylphenyl)methyl]-2-oxoacetamide;5-methylpyrrolidin-2-one is sourced from PubChem (CID 178020190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).