2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol

C8H13NO — CID 88918217

IUPAC2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol
SMILESC=C(/C=C\C)NC(=C)CO
InChIInChI=1S/C8H13NO/c1-4-5-7(2)9-8(3)6-10/h4-5,9-10H,2-3,6H2,1H3/b5-4-
InChIKeyDZABGLLWGIUIEO-PLNGDYQASA-N
MW139.20 g/mol
LogP1.17
Rot. Bonds4

About 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol

2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol (PubChem CID 88918217) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol
PubChem CID88918217
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol
SMILESC=C(/C=C\C)NC(=C)CO
InChIInChI=1S/C8H13NO/c1-4-5-7(2)9-8(3)6-10/h4-5,9-10H,2-3,6H2,1H3/b5-4-
InChIKeyDZABGLLWGIUIEO-PLNGDYQASA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-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 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol?
The IUPAC name of 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol (CID 88918217) is 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol.
What is the SMILES notation for 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol?
The canonical SMILES for 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol is C=C(/C=C\C)NC(=C)CO.
What is the InChIKey of 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol?
The InChIKey is DZABGLLWGIUIEO-PLNGDYQASA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-7(2)9-8(3)6-10/h4-5,9-10H,2-3,6H2,1H3/b5-4-.
What are the key properties of 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol?
2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3Z)-penta-1,3-dien-2-yl]amino]prop-2-en-1-ol is sourced from PubChem (CID 88918217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).