1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one

C13H15NO — CID 20763159

IUPAC1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one
SMILESCC(C)c1cccc2n(C)c(=O)cc-2c1
InChIInChI=1S/C13H15NO/c1-9(2)10-5-4-6-12-11(7-10)8-13(15)14(12)3/h4-9H,1-3H3
InChIKeyIRBGPIHCGBORQH-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.61
Rot. Bonds1

About 1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one

1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one (PubChem CID 20763159) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one.

Molecular Properties

Compound Name1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one
PubChem CID20763159
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one
SMILESCC(C)c1cccc2n(C)c(=O)cc-2c1
InChIInChI=1S/C13H15NO/c1-9(2)10-5-4-6-12-11(7-10)8-13(15)14(12)3/h4-9H,1-3H3
InChIKeyIRBGPIHCGBORQH-UHFFFAOYSA-N
XLogP2.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one?
The IUPAC name of 1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one (CID 20763159) is 1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one.
What is the SMILES notation for 1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one?
The canonical SMILES for 1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one is CC(C)c1cccc2n(C)c(=O)cc-2c1.
What is the InChIKey of 1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one?
The InChIKey is IRBGPIHCGBORQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(2)10-5-4-6-12-11(7-10)8-13(15)14(12)3/h4-9H,1-3H3.
What are the key properties of 1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one?
1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-ylcyclohepta[b]pyrrol-2-one is sourced from PubChem (CID 20763159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).