CID 140659718

C9H11N2O — CID 140659718

IUPAC—
SMILES[CH2]C(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C9H11N2O/c1-7(12)8-4-5-9(10-6-8)11(2)3/h4-6H,1H2,2-3H3
InChIKeyVXQFZKOKBKXNDE-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.16
Rot. Bonds2

About CID 140659718

CID 140659718 (PubChem CID 140659718) has the molecular formula C9H11N2O and a molecular weight of 163.20 g/mol.

Molecular Properties

Compound NameCID 140659718
PubChem CID140659718
Molecular FormulaC9H11N2O
Molecular Weight163.20 g/mol
Exact Mass163.09
IUPAC Name—
SMILES[CH2]C(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C9H11N2O/c1-7(12)8-4-5-9(10-6-8)11(2)3/h4-6H,1H2,2-3H3
InChIKeyVXQFZKOKBKXNDE-UHFFFAOYSA-N
XLogP1.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 140659718 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 CID 140659718?
The IUPAC name of CID 140659718 (CID 140659718) is not available.
What is the SMILES notation for CID 140659718?
The canonical SMILES for CID 140659718 is [CH2]C(=O)c1ccc(N(C)C)nc1.
What is the InChIKey of CID 140659718?
The InChIKey is VXQFZKOKBKXNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2O/c1-7(12)8-4-5-9(10-6-8)11(2)3/h4-6H,1H2,2-3H3.
What are the key properties of CID 140659718?
CID 140659718 has a molecular weight of 163.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140659718 is sourced from PubChem (CID 140659718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).