CID 58792550

C4H8N — CID 58792550

IUPAC—
SMILES[CH2]C(C)N=C
InChIInChI=1S/C4H8N/c1-4(2)5-3/h4H,1,3H2,2H3
InChIKeyQNKWVVNRUIFRCO-UHFFFAOYSA-N
MW70.12 g/mol
LogP0.91
Rot. Bonds1

About CID 58792550

CID 58792550 (PubChem CID 58792550) has the molecular formula C4H8N and a molecular weight of 70.12 g/mol.

Molecular Properties

Compound NameCID 58792550
PubChem CID58792550
Molecular FormulaC4H8N
Molecular Weight70.12 g/mol
Exact Mass70.07
IUPAC Name—
SMILES[CH2]C(C)N=C
InChIInChI=1S/C4H8N/c1-4(2)5-3/h4H,1,3H2,2H3
InChIKeyQNKWVVNRUIFRCO-UHFFFAOYSA-N
XLogP0.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.12
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58792550?
The IUPAC name of CID 58792550 (CID 58792550) is not available.
What is the SMILES notation for CID 58792550?
The canonical SMILES for CID 58792550 is [CH2]C(C)N=C.
What is the InChIKey of CID 58792550?
The InChIKey is QNKWVVNRUIFRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N/c1-4(2)5-3/h4H,1,3H2,2H3.
What are the key properties of CID 58792550?
CID 58792550 has a molecular weight of 70.12 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58792550 is sourced from PubChem (CID 58792550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).