(E)-7-aminohept-5-en-3-ol

C7H15NO — CID 87632483

IUPAC(E)-7-aminohept-5-en-3-ol
SMILESCCC(O)C/C=C/CN
InChIInChI=1S/C7H15NO/c1-2-7(9)5-3-4-6-8/h3-4,7,9H,2,5-6,8H2,1H3/b4-3+
InChIKeyDQSNVKSHGHZHMT-ONEGZZNKSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds4

About (E)-7-aminohept-5-en-3-ol

(E)-7-aminohept-5-en-3-ol (PubChem CID 87632483) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E)-7-aminohept-5-en-3-ol.

Molecular Properties

Compound Name(E)-7-aminohept-5-en-3-ol
PubChem CID87632483
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E)-7-aminohept-5-en-3-ol
SMILESCCC(O)C/C=C/CN
InChIInChI=1S/C7H15NO/c1-2-7(9)5-3-4-6-8/h3-4,7,9H,2,5-6,8H2,1H3/b4-3+
InChIKeyDQSNVKSHGHZHMT-ONEGZZNKSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-7-aminohept-5-en-3-ol 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 (E)-7-aminohept-5-en-3-ol?
The IUPAC name of (E)-7-aminohept-5-en-3-ol (CID 87632483) is (E)-7-aminohept-5-en-3-ol.
What is the SMILES notation for (E)-7-aminohept-5-en-3-ol?
The canonical SMILES for (E)-7-aminohept-5-en-3-ol is CCC(O)C/C=C/CN.
What is the InChIKey of (E)-7-aminohept-5-en-3-ol?
The InChIKey is DQSNVKSHGHZHMT-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-7(9)5-3-4-6-8/h3-4,7,9H,2,5-6,8H2,1H3/b4-3+.
What are the key properties of (E)-7-aminohept-5-en-3-ol?
(E)-7-aminohept-5-en-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-aminohept-5-en-3-ol is sourced from PubChem (CID 87632483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).