5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide

C11H12N2O2 — CID 143019432

IUPAC5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide
SMILESCC1(C(N)=O)C=CC=C2NC(=O)CC2=C1
InChIInChI=1S/C11H12N2O2/c1-11(10(12)15)4-2-3-8-7(6-11)5-9(14)13-8/h2-4,6H,5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyPIIKILHPFQVSOR-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.38
Rot. Bonds1

About 5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide

5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide (PubChem CID 143019432) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide
PubChem CID143019432
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide
SMILESCC1(C(N)=O)C=CC=C2NC(=O)CC2=C1
InChIInChI=1S/C11H12N2O2/c1-11(10(12)15)4-2-3-8-7(6-11)5-9(14)13-8/h2-4,6H,5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyPIIKILHPFQVSOR-UHFFFAOYSA-N
XLogP0.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one
CID 143171931
1-(5-methyl-2,3-dihydro-1H-azulen-5-yl)ethanone
CID 142234797
1,3-dimethyl-4-oxocyclohexa-2,5-diene-1-carboxamide
CID 58388165
6-methyl-3,5-dihydro-1H-cyclohepta[b]pyrrol-2-one
CID 170389904
3,5-dihydro-1H-pyrrolo[2,3-d]azepin-2-one
CID 166825918
1,4-dihydroindol-2-one
CID 67469329
molecular hydrogen;1,3,5,6-tetrahydroindol-2-one
CID 142303542
2-hydroxy-1,2-dimethylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 141455296
N'-(1,5-dimethylcyclohexa-2,4-dien-1-yl)hexanediamide
CID 141008417
6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 175839294
5-amino-5-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 19605004
1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 154390068

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide?
The IUPAC name of 5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide (CID 143019432) is 5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide.
What is the SMILES notation for 5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide?
The canonical SMILES for 5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide is CC1(C(N)=O)C=CC=C2NC(=O)CC2=C1.
What is the InChIKey of 5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide?
The InChIKey is PIIKILHPFQVSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-11(10(12)15)4-2-3-8-7(6-11)5-9(14)13-8/h2-4,6H,5H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide?
5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-1,3-dihydrocyclohepta[b]pyrrole-5-carboxamide is sourced from PubChem (CID 143019432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).