(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol

C7H10ClNO — CID 126515720

IUPAC(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol
SMILESC=C/C(=C\C=C(/N)Cl)CO
InChIInChI=1S/C7H10ClNO/c1-2-6(5-10)3-4-7(8)9/h2-4,10H,1,5,9H2/b6-3+,7-4-
InChIKeyNPFQSBVTJUUNTC-JOVCIAKGSA-N
MW159.62 g/mol
LogP1.13
Rot. Bonds3

About (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol

(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol (PubChem CID 126515720) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol
PubChem CID126515720
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol
SMILESC=C/C(=C\C=C(/N)Cl)CO
InChIInChI=1S/C7H10ClNO/c1-2-6(5-10)3-4-7(8)9/h2-4,10H,1,5,9H2/b6-3+,7-4-
InChIKeyNPFQSBVTJUUNTC-JOVCIAKGSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-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 (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol (CID 126515720) is (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol is C=C/C(=C\C=C(/N)Cl)CO.
What is the InChIKey of (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol?
The InChIKey is NPFQSBVTJUUNTC-JOVCIAKGSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-2-6(5-10)3-4-7(8)9/h2-4,10H,1,5,9H2/b6-3+,7-4-.
What are the key properties of (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol?
(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol has a molecular weight of 159.62 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol is sourced from PubChem (CID 126515720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).