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

C12H20N2O2 — CID 5459653

IUPAC1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
SMILESCNC(=O)C1(CC(C)C)C=CCN1C(C)=O
InChIInChI=1S/C12H20N2O2/c1-9(2)8-12(11(16)13-4)6-5-7-14(12)10(3)15/h5-6,9H,7-8H2,1-4H3,(H,13,16)
InChIKeyAAUDCECUTJMLMI-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.94
Rot. Bonds3

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

1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide (PubChem CID 5459653) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
PubChem CID5459653
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
SMILESCNC(=O)C1(CC(C)C)C=CCN1C(C)=O
InChIInChI=1S/C12H20N2O2/c1-9(2)8-12(11(16)13-4)6-5-7-14(12)10(3)15/h5-6,9H,7-8H2,1-4H3,(H,13,16)
InChIKeyAAUDCECUTJMLMI-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.94
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

N-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]-2,5-dihydropyrrole-2-carboxamide
CID 73354462
(2R)-1-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]-2,5-dihydropyrrole-2-carboxamide
CID 73354463
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
methyl 5-(2-methoxyethylcarbamoyl)-5-(2-methylpropyl)-2H-pyrrole-1-carboxylate
CID 5459667
methyl 2-[[1-acetyl-5-(2-methylpropyl)-2H-pyrrole-5-carbonyl]amino]acetate
CID 5459648
1-acetyl-N-(cyclopropylmethyl)-5-methyl-2H-pyrrole-5-carboxamide
CID 5459671
1-acetyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 5459652
1-acetyl-N,2-dimethyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide
CID 5459707
N-(1-carbamoylcyclopentyl)-N-methylcyclopent-3-ene-1-carboxamide
CID 84597492
4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210485

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide (CID 5459653) is 1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide is CNC(=O)C1(CC(C)C)C=CCN1C(C)=O.
What is the InChIKey of 1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The InChIKey is AAUDCECUTJMLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)8-12(11(16)13-4)6-5-7-14(12)10(3)15/h5-6,9H,7-8H2,1-4H3,(H,13,16).
What are the key properties of 1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 5459653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).