CID 135080022

C13H11NO2 — CID 135080022

IUPAC—
SMILESO=C(CNC(=O)[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C13H11NO2/c15-12(10-5-1-2-6-10)9-14-13(16)11-7-3-4-8-11/h1-8H,9H2,(H,14,16)
InChIKeyPPRWVQJBJCCJLP-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.48
Rot. Bonds4

About CID 135080022

CID 135080022 (PubChem CID 135080022) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol.

Molecular Properties

Compound NameCID 135080022
PubChem CID135080022
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name—
SMILESO=C(CNC(=O)[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C13H11NO2/c15-12(10-5-1-2-6-10)9-14-13(16)11-7-3-4-8-11/h1-8H,9H2,(H,14,16)
InChIKeyPPRWVQJBJCCJLP-UHFFFAOYSA-N
XLogP0.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze CID 135080022 with MolForge

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

Launch Full Analysis

Related Compounds

CID 16680634
CID 16680634
CID 11017566
CID 11017566
CID 16680633
CID 16680633
CID 56652210
CID 56652210
4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
CID 10859192
N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856376
3-methyl-N-phenacylthiophene-2-carboxamide
CID 64991702
4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 13105423
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
1-methyl-N-phenacylpyrazole-4-carboxamide
CID 64991757
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868

Frequently Asked Questions

What is the IUPAC name of CID 135080022?
The IUPAC name of CID 135080022 (CID 135080022) is not available.
What is the SMILES notation for CID 135080022?
The canonical SMILES for CID 135080022 is O=C(CNC(=O)[C]1[CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 135080022?
The InChIKey is PPRWVQJBJCCJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c15-12(10-5-1-2-6-10)9-14-13(16)11-7-3-4-8-11/h1-8H,9H2,(H,14,16).
What are the key properties of CID 135080022?
CID 135080022 has a molecular weight of 213.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135080022 is sourced from PubChem (CID 135080022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).