CID 102399593

C4H8N — CID 102399593

IUPAC—
SMILESC=CC(C)[NH]
InChIInChI=1S/C4H8N/c1-3-4(2)5/h3-5H,1H2,2H3
InChIKeyPJBDCVPFVXFHAH-UHFFFAOYSA-N
MW70.12 g/mol
LogP0.84
Rot. Bonds1

About CID 102399593

CID 102399593 (PubChem CID 102399593) has the molecular formula C4H8N and a molecular weight of 70.12 g/mol.

Molecular Properties

Compound NameCID 102399593
PubChem CID102399593
Molecular FormulaC4H8N
Molecular Weight70.12 g/mol
Exact Mass70.07
IUPAC Name—
SMILESC=CC(C)[NH]
InChIInChI=1S/C4H8N/c1-3-4(2)5/h3-5H,1H2,2H3
InChIKeyPJBDCVPFVXFHAH-UHFFFAOYSA-N
XLogP0.84
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.12
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102399593?
The IUPAC name of CID 102399593 (CID 102399593) is not available.
What is the SMILES notation for CID 102399593?
The canonical SMILES for CID 102399593 is C=CC(C)[NH].
What is the InChIKey of CID 102399593?
The InChIKey is PJBDCVPFVXFHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N/c1-3-4(2)5/h3-5H,1H2,2H3.
What are the key properties of CID 102399593?
CID 102399593 has a molecular weight of 70.12 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102399593 is sourced from PubChem (CID 102399593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).