(3E)-4-(ethenylamino)penta-1,3-dien-2-ol

C7H11NO — CID 126583734

IUPAC(3E)-4-(ethenylamino)penta-1,3-dien-2-ol
SMILESC=CN/C(C)=C/C(=C)O
InChIInChI=1S/C7H11NO/c1-4-8-6(2)5-7(3)9/h4-5,8-9H,1,3H2,2H3/b6-5+
InChIKeyUBWGYUXGAVEPSA-AATRIKPKSA-N
MW125.17 g/mol
LogP1.70
Rot. Bonds3

About (3E)-4-(ethenylamino)penta-1,3-dien-2-ol

(3E)-4-(ethenylamino)penta-1,3-dien-2-ol (PubChem CID 126583734) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3E)-4-(ethenylamino)penta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3E)-4-(ethenylamino)penta-1,3-dien-2-ol
PubChem CID126583734
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3E)-4-(ethenylamino)penta-1,3-dien-2-ol
SMILESC=CN/C(C)=C/C(=C)O
InChIInChI=1S/C7H11NO/c1-4-8-6(2)5-7(3)9/h4-5,8-9H,1,3H2,2H3/b6-5+
InChIKeyUBWGYUXGAVEPSA-AATRIKPKSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-(ethenylamino)penta-1,3-dien-2-ol?
The IUPAC name of (3E)-4-(ethenylamino)penta-1,3-dien-2-ol (CID 126583734) is (3E)-4-(ethenylamino)penta-1,3-dien-2-ol.
What is the SMILES notation for (3E)-4-(ethenylamino)penta-1,3-dien-2-ol?
The canonical SMILES for (3E)-4-(ethenylamino)penta-1,3-dien-2-ol is C=CN/C(C)=C/C(=C)O.
What is the InChIKey of (3E)-4-(ethenylamino)penta-1,3-dien-2-ol?
The InChIKey is UBWGYUXGAVEPSA-AATRIKPKSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-8-6(2)5-7(3)9/h4-5,8-9H,1,3H2,2H3/b6-5+.
What are the key properties of (3E)-4-(ethenylamino)penta-1,3-dien-2-ol?
(3E)-4-(ethenylamino)penta-1,3-dien-2-ol has a molecular weight of 125.17 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 (3E)-4-(ethenylamino)penta-1,3-dien-2-ol is sourced from PubChem (CID 126583734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).