1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide

C8H10N2O2 — CID 154668563

IUPAC1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NCC=O)c1
InChIInChI=1S/C8H10N2O2/c1-10-4-2-7(6-10)8(12)9-3-5-11/h2,4-6H,3H2,1H3,(H,9,12)
InChIKeyBXOFSGANQTWXKN-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.05
Rot. Bonds3

About 1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide

1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide (PubChem CID 154668563) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide
PubChem CID154668563
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NCC=O)c1
InChIInChI=1S/C8H10N2O2/c1-10-4-2-7(6-10)8(12)9-3-5-11/h2,4-6H,3H2,1H3,(H,9,12)
InChIKeyBXOFSGANQTWXKN-UHFFFAOYSA-N
XLogP-0.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1H-pyrrole-3-carbaldehyde
CID 3751373
1H-pyrrole-3-carboxaldehyde
CID 640308
1-tert-Butyl-1H-pyrrole-3-carbaldehyde
CID 6485565
1H-pyrrole-3-carboxamide
CID 19067979
N,N-dimethyl-1H-pyrrole-3-carboxamide
CID 23057984
methyl 3-(3-formyl-1H-pyrrol-1-yl)propanoate
CID 66410543
(4S)-4-{[(1-tert-butyl-1H-pyrrol-3-yl)carbonyl]amino}-N,N-diethyl-1-methyl-L-prolinamide
CID 72849234
(4R)-4-{[(1-tert-butyl-1H-pyrrol-3-yl)carbonyl]amino}-N,N-diethyl-1-methyl-L-prolinamide
CID 72861490
1-cyclobutyl-1H-pyrrole-3-carbaldehyde
CID 155977953
N-carbethoxy-3-formylpyrrole
CID 12825643
1-(Trifluoromethyl)pyrrole-3-carboxamide
CID 17998073
N-(2-fluoro-2-prop-1-en-2-ylpent-3-enyl)-1-(6-methylideneocta-2,4-dien-4-yl)pyrrole-3-carboxamide
CID 123218133

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide (CID 154668563) is 1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide is Cn1ccc(C(=O)NCC=O)c1.
What is the InChIKey of 1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide?
The InChIKey is BXOFSGANQTWXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-4-2-7(6-10)8(12)9-3-5-11/h2,4-6H,3H2,1H3,(H,9,12).
What are the key properties of 1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide?
1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide has a molecular weight of 166.18 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 154668563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).