CID 58792551

C4H8N — CID 58792551

IUPAC—
SMILESC=N[C](C)C
InChIInChI=1S/C4H8N/c1-4(2)5-3/h3H2,1-2H3
InChIKeyACCHPDULYKIBMD-UHFFFAOYSA-N
MW70.11 g/mol
LogP1.26
Rot. Bonds1

About CID 58792551

CID 58792551 (PubChem CID 58792551) has the molecular formula C4H8N and a molecular weight of 70.11 g/mol.

Molecular Properties

Compound NameCID 58792551
PubChem CID58792551
Molecular FormulaC4H8N
Molecular Weight70.11 g/mol
Exact Mass70.07
IUPAC Name—
SMILESC=N[C](C)C
InChIInChI=1S/C4H8N/c1-4(2)5-3/h3H2,1-2H3
InChIKeyACCHPDULYKIBMD-UHFFFAOYSA-N
XLogP1.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.11
LogP ≤ 51.26
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 58792551?
The IUPAC name of CID 58792551 (CID 58792551) is not available.
What is the SMILES notation for CID 58792551?
The canonical SMILES for CID 58792551 is C=N[C](C)C.
What is the InChIKey of CID 58792551?
The InChIKey is ACCHPDULYKIBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N/c1-4(2)5-3/h3H2,1-2H3.
What are the key properties of CID 58792551?
CID 58792551 has a molecular weight of 70.11 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58792551 is sourced from PubChem (CID 58792551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).