1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone

C19H24N2O2 — CID 681669

IUPAC1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1
InChIInChI=1S/C19H24N2O2/c1-14-4-6-17(7-5-14)21-15(2)12-18(16(21)3)19(22)13-20-8-10-23-11-9-20/h4-7,12H,8-11,13H2,1-3H3
InChIKeyWEJJYVVZXDPFAR-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.92
Rot. Bonds4

About 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone

1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone (PubChem CID 681669) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone
PubChem CID681669
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1
InChIInChI=1S/C19H24N2O2/c1-14-4-6-17(7-5-14)21-15(2)12-18(16(21)3)19(22)13-20-8-10-23-11-9-20/h4-7,12H,8-11,13H2,1-3H3
InChIKeyWEJJYVVZXDPFAR-UHFFFAOYSA-N
XLogP2.92
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone (CID 681669) is 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone is Cc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1.
What is the InChIKey of 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone?
The InChIKey is WEJJYVVZXDPFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-4-6-17(7-5-14)21-15(2)12-18(16(21)3)19(22)13-20-8-10-23-11-9-20/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone?
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone has a molecular weight of 312.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 681669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).