CID 100942132

C16H13N2O — CID 100942132

IUPAC—
SMILESCN1CC[N]C1=C1C=C=Cc2c1oc1ccccc21
InChIInChI=1S/C16H13N2O/c1-18-10-9-17-16(18)13-7-4-6-12-11-5-2-3-8-14(11)19-15(12)13/h2-3,5-8H,9-10H2,1H3
InChIKeyMRSNILRGHKHHIE-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.83
Rot. Bonds

About CID 100942132

CID 100942132 (PubChem CID 100942132) has the molecular formula C16H13N2O and a molecular weight of 249.29 g/mol.

Molecular Properties

Compound NameCID 100942132
PubChem CID100942132
Molecular FormulaC16H13N2O
Molecular Weight249.29 g/mol
Exact Mass249.10
IUPAC Name—
SMILESCN1CC[N]C1=C1C=C=Cc2c1oc1ccccc21
InChIInChI=1S/C16H13N2O/c1-18-10-9-17-16(18)13-7-4-6-12-11-5-2-3-8-14(11)19-15(12)13/h2-3,5-8H,9-10H2,1H3
InChIKeyMRSNILRGHKHHIE-UHFFFAOYSA-N
XLogP2.83
TPSA30.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 100942132 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 100942132?
The IUPAC name of CID 100942132 (CID 100942132) is not available.
What is the SMILES notation for CID 100942132?
The canonical SMILES for CID 100942132 is CN1CC[N]C1=C1C=C=Cc2c1oc1ccccc21.
What is the InChIKey of CID 100942132?
The InChIKey is MRSNILRGHKHHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2O/c1-18-10-9-17-16(18)13-7-4-6-12-11-5-2-3-8-14(11)19-15(12)13/h2-3,5-8H,9-10H2,1H3.
What are the key properties of CID 100942132?
CID 100942132 has a molecular weight of 249.29 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100942132 is sourced from PubChem (CID 100942132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).