3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one

C12H14N2O — CID 15186073

IUPAC3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one
SMILESCN(C)Cc1c2cccccc-2[nH]c1=O
InChIInChI=1S/C12H14N2O/c1-14(2)8-10-9-6-4-3-5-7-11(9)13-12(10)15/h3-7H,8H2,1-2H3,(H,13,15)
InChIKeyPNCLETJXKRYXAV-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.54
Rot. Bonds2

About 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one

3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one (PubChem CID 15186073) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one
PubChem CID15186073
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one
SMILESCN(C)Cc1c2cccccc-2[nH]c1=O
InChIInChI=1S/C12H14N2O/c1-14(2)8-10-9-6-4-3-5-7-11(9)13-12(10)15/h3-7H,8H2,1-2H3,(H,13,15)
InChIKeyPNCLETJXKRYXAV-UHFFFAOYSA-N
XLogP1.54
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one?
The IUPAC name of 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one (CID 15186073) is 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one is CN(C)Cc1c2cccccc-2[nH]c1=O.
What is the InChIKey of 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one?
The InChIKey is PNCLETJXKRYXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14(2)8-10-9-6-4-3-5-7-11(9)13-12(10)15/h3-7H,8H2,1-2H3,(H,13,15).
What are the key properties of 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one?
3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1H-cyclohepta[b]pyrrol-2-one is sourced from PubChem (CID 15186073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).