1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide

C12H18N2O2 — CID 5459671

IUPAC1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide
SMILESCC(=O)N1CC=CC1(C)C(=O)NCC1CC1
InChIInChI=1S/C12H18N2O2/c1-9(15)14-7-3-6-12(14,2)11(16)13-8-10-4-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,16)
InChIKeyPZZZOEHAFRBCAO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.69
Rot. Bonds3

About 1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide

1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide (PubChem CID 5459671) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide
PubChem CID5459671
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide
SMILESCC(=O)N1CC=CC1(C)C(=O)NCC1CC1
InChIInChI=1S/C12H18N2O2/c1-9(15)14-7-3-6-12(14,2)11(16)13-8-10-4-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,16)
InChIKeyPZZZOEHAFRBCAO-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459653
methyl 5-(cyclopropylmethylcarbamoyl)-5-methyl-2H-pyrrole-1-carboxylate
CID 5459679
1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459652
1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide
CID 5459669
(2S)-N-cyclohexyl-N-(cyclopropylmethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 164642181
(2R)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 92548251
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 92548250
(2R)-1-(cyclopropanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
CID 110244525
1-(2-Methylpropanoyl)-2,5-dihydropyrrole-2-carboxamide
CID 18736868
methyl N-[(4E)-6-amino-3-(propylcarbamoyl)hexa-1,4-dien-3-yl]-N-propylcarbamate
CID 20545561
N-ethyl-1-methyl-2,5-dihydropyrrole-2-carboxamide
CID 53879855
methyl N-[6-amino-3-(propylcarbamoyl)hexa-1,4-dien-3-yl]-N-propylcarbamate
CID 54204376

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide (CID 5459671) is 1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide is CC(=O)N1CC=CC1(C)C(=O)NCC1CC1.
What is the InChIKey of 1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide?
The InChIKey is PZZZOEHAFRBCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(15)14-7-3-6-12(14,2)11(16)13-8-10-4-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,16).
What are the key properties of 1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide?
1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 5459671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).