3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide

C17H18N2O2 — CID 163322923

IUPAC3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide
SMILESCc1[nH]c(-c2cccc(C(N)=O)c2)c2c1C(=O)CCCC2
InChIInChI=1S/C17H18N2O2/c1-10-15-13(7-2-3-8-14(15)20)16(19-10)11-5-4-6-12(9-11)17(18)21/h4-6,9,19H,2-3,7-8H2,1H3,(H2,18,21)
InChIKeyHNUOOQOBVDICGV-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.00
Rot. Bonds2

About 3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide

3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide (PubChem CID 163322923) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide.

Molecular Properties

Compound Name3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide
PubChem CID163322923
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide
SMILESCc1[nH]c(-c2cccc(C(N)=O)c2)c2c1C(=O)CCCC2
InChIInChI=1S/C17H18N2O2/c1-10-15-13(7-2-3-8-14(15)20)16(19-10)11-5-4-6-12(9-11)17(18)21/h4-6,9,19H,2-3,7-8H2,1H3,(H2,18,21)
InChIKeyHNUOOQOBVDICGV-UHFFFAOYSA-N
XLogP3.00
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide
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3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide
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ethyl 5-methyl-2-(3-methylphenyl)-4-phenyl-1H-pyrrole-3-carboxylate
CID 102491425
ethyl 3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrole-1-carboxylate;methane;3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrole-1-carboxylic acid;triiodovanadium
CID 163742922

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide?
The IUPAC name of 3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide (CID 163322923) is 3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide.
What is the SMILES notation for 3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide?
The canonical SMILES for 3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide is Cc1[nH]c(-c2cccc(C(N)=O)c2)c2c1C(=O)CCCC2.
What is the InChIKey of 3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide?
The InChIKey is HNUOOQOBVDICGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-15-13(7-2-3-8-14(15)20)16(19-10)11-5-4-6-12(9-11)17(18)21/h4-6,9,19H,2-3,7-8H2,1H3,(H2,18,21).
What are the key properties of 3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide?
3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide has a molecular weight of 282.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrol-1-yl)benzamide is sourced from PubChem (CID 163322923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).