CID 162361492

C11H12NOPb — CID 162361492

IUPAC—
SMILESC=C(O)/C(C/C=C/[Pb])=c1/cc[nH]c1=C
InChIInChI=1S/C11H12NO.Pb/c1-4-5-11(9(3)13)10-6-7-12-8(10)2;/h1,4,6-7,12-13H,2-3,5H2;/b4-1?,11-10-;
InChIKeyWONLZXGTJSHKNC-NZHXRUCTSA-N
MW381.42 g/mol
LogP0.72
Rot. Bonds3

About CID 162361492

CID 162361492 (PubChem CID 162361492) has the molecular formula C11H12NOPb and a molecular weight of 381.42 g/mol.

Molecular Properties

Compound NameCID 162361492
PubChem CID162361492
Molecular FormulaC11H12NOPb
Molecular Weight381.42 g/mol
Exact Mass382.07
IUPAC Name—
SMILESC=C(O)/C(C/C=C/[Pb])=c1/cc[nH]c1=C
InChIInChI=1S/C11H12NO.Pb/c1-4-5-11(9(3)13)10-6-7-12-8(10)2;/h1,4,6-7,12-13H,2-3,5H2;/b4-1?,11-10-;
InChIKeyWONLZXGTJSHKNC-NZHXRUCTSA-N
XLogP0.72
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze CID 162361492 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 162361492?
The IUPAC name of CID 162361492 (CID 162361492) is not available.
What is the SMILES notation for CID 162361492?
The canonical SMILES for CID 162361492 is C=C(O)/C(C/C=C/[Pb])=c1/cc[nH]c1=C.
What is the InChIKey of CID 162361492?
The InChIKey is WONLZXGTJSHKNC-NZHXRUCTSA-N. The full InChI is InChI=1S/C11H12NO.Pb/c1-4-5-11(9(3)13)10-6-7-12-8(10)2;/h1,4,6-7,12-13H,2-3,5H2;/b4-1?,11-10-;.
What are the key properties of CID 162361492?
CID 162361492 has a molecular weight of 381.42 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162361492 is sourced from PubChem (CID 162361492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).