2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine

C16H24N4O — CID 110018170

IUPAC2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC1CC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C16H24N4O/c1-11(2)19-16(17)18-10-13-9-14(21)20(3)15(13)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H3,17,18,19)
InChIKeyWMVIUTYHPZBPIN-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.52
Rot. Bonds4

About 2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine

2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine (PubChem CID 110018170) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine
PubChem CID110018170
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC1CC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C16H24N4O/c1-11(2)19-16(17)18-10-13-9-14(21)20(3)15(13)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H3,17,18,19)
InChIKeyWMVIUTYHPZBPIN-UHFFFAOYSA-N
XLogP1.52
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine
CID 120662626
3-methyl-N'-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110018098
1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110017679
2-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-1-propan-2-ylguanidine
CID 120672125
2-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 120672124
2-[[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-1-phenylguanidine
CID 120603034
1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
CID 110051016
1-cyclopentyl-2-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]guanidine
CID 120728101
1-cyclopropyl-2-[[(2R,3S)-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidin-3-yl]methyl]guanidine
CID 122082683
2-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111819335
1-[2-(furan-2-yl)ethyl]-3-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110051019
1-(1-methoxypropan-2-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810564

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine (CID 110018170) is 2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC1CC(=O)N(C)C1c1ccccc1.
What is the InChIKey of 2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine?
The InChIKey is WMVIUTYHPZBPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)19-16(17)18-10-13-9-14(21)20(3)15(13)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H3,17,18,19).
What are the key properties of 2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine?
2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine has a molecular weight of 288.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 110018170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).