(1Z,3Z)-1-aminohepta-1,3-dien-2-ol

C7H13NO — CID 88905575

IUPAC(1Z,3Z)-1-aminohepta-1,3-dien-2-ol
SMILESCCC/C=C\C(O)=C\N
InChIInChI=1S/C7H13NO/c1-2-3-4-5-7(9)6-8/h4-6,9H,2-3,8H2,1H3/b5-4-,7-6-
InChIKeyOHDMVRIXZJAUIK-RZSVFLSASA-N
MW127.19 g/mol
LogP1.70
Rot. Bonds3

About (1Z,3Z)-1-aminohepta-1,3-dien-2-ol

(1Z,3Z)-1-aminohepta-1,3-dien-2-ol (PubChem CID 88905575) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1Z,3Z)-1-aminohepta-1,3-dien-2-ol.

Molecular Properties

Compound Name(1Z,3Z)-1-aminohepta-1,3-dien-2-ol
PubChem CID88905575
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1Z,3Z)-1-aminohepta-1,3-dien-2-ol
SMILESCCC/C=C\C(O)=C\N
InChIInChI=1S/C7H13NO/c1-2-3-4-5-7(9)6-8/h4-6,9H,2-3,8H2,1H3/b5-4-,7-6-
InChIKeyOHDMVRIXZJAUIK-RZSVFLSASA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3Z)-1-aminohepta-1,3-dien-2-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 (1Z,3Z)-1-aminohepta-1,3-dien-2-ol?
The IUPAC name of (1Z,3Z)-1-aminohepta-1,3-dien-2-ol (CID 88905575) is (1Z,3Z)-1-aminohepta-1,3-dien-2-ol.
What is the SMILES notation for (1Z,3Z)-1-aminohepta-1,3-dien-2-ol?
The canonical SMILES for (1Z,3Z)-1-aminohepta-1,3-dien-2-ol is CCC/C=C\C(O)=C\N.
What is the InChIKey of (1Z,3Z)-1-aminohepta-1,3-dien-2-ol?
The InChIKey is OHDMVRIXZJAUIK-RZSVFLSASA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-4-5-7(9)6-8/h4-6,9H,2-3,8H2,1H3/b5-4-,7-6-.
What are the key properties of (1Z,3Z)-1-aminohepta-1,3-dien-2-ol?
(1Z,3Z)-1-aminohepta-1,3-dien-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-aminohepta-1,3-dien-2-ol is sourced from PubChem (CID 88905575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).