CID 100933062

C5H8N — CID 100933062

IUPAC—
SMILES[H]/N=C/CC[C]=C
InChIInChI=1S/C5H8N/c1-2-3-4-5-6/h5-6H,1,3-4H2/b6-5+
InChIKeyLQFYKPRDXXEYKK-AATRIKPKSA-N
MW82.13 g/mol
LogP1.41
Rot. Bonds3

About CID 100933062

CID 100933062 (PubChem CID 100933062) has the molecular formula C5H8N and a molecular weight of 82.13 g/mol.

Molecular Properties

Compound NameCID 100933062
PubChem CID100933062
Molecular FormulaC5H8N
Molecular Weight82.13 g/mol
Exact Mass82.07
IUPAC Name—
SMILES[H]/N=C/CC[C]=C
InChIInChI=1S/C5H8N/c1-2-3-4-5-6/h5-6H,1,3-4H2/b6-5+
InChIKeyLQFYKPRDXXEYKK-AATRIKPKSA-N
XLogP1.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 100933062 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 100933062?
The IUPAC name of CID 100933062 (CID 100933062) is not available.
What is the SMILES notation for CID 100933062?
The canonical SMILES for CID 100933062 is [H]/N=C/CC[C]=C.
What is the InChIKey of CID 100933062?
The InChIKey is LQFYKPRDXXEYKK-AATRIKPKSA-N. The full InChI is InChI=1S/C5H8N/c1-2-3-4-5-6/h5-6H,1,3-4H2/b6-5+.
What are the key properties of CID 100933062?
CID 100933062 has a molecular weight of 82.13 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100933062 is sourced from PubChem (CID 100933062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).