(2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol

C5H8ClNO — CID 143972446

IUPAC(2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol
SMILESC/C(O)=C\C=C(/N)Cl
InChIInChI=1S/C5H8ClNO/c1-4(8)2-3-5(6)7/h2-3,8H,7H2,1H3/b4-2+,5-3-
InChIKeyMKLLHYOPZZXQBF-HZDAAVBUSA-N
MW133.58 g/mol
LogP1.49
Rot. Bonds1

About (2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol

(2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol (PubChem CID 143972446) has the molecular formula C5H8ClNO and a molecular weight of 133.58 g/mol. Its IUPAC name is (2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol
PubChem CID143972446
Molecular FormulaC5H8ClNO
Molecular Weight133.58 g/mol
Exact Mass133.03
IUPAC Name(2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol
SMILESC/C(O)=C\C=C(/N)Cl
InChIInChI=1S/C5H8ClNO/c1-4(8)2-3-5(6)7/h2-3,8H,7H2,1H3/b4-2+,5-3-
InChIKeyMKLLHYOPZZXQBF-HZDAAVBUSA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E)-7-amino-5-chlorohepta-2,4,6-trien-2-ol
CID 89060582
(1E,3E)-4-amino-1-chloropenta-1,3-dien-1-ol
CID 139378075
(1E,3E)-1-chloro-4-methoxypenta-1,3-dien-1-amine
CID 143972679

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol?
The IUPAC name of (2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol (CID 143972446) is (2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol.
What is the SMILES notation for (2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol?
The canonical SMILES for (2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol is C/C(O)=C\C=C(/N)Cl.
What is the InChIKey of (2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol?
The InChIKey is MKLLHYOPZZXQBF-HZDAAVBUSA-N. The full InChI is InChI=1S/C5H8ClNO/c1-4(8)2-3-5(6)7/h2-3,8H,7H2,1H3/b4-2+,5-3-.
What are the key properties of (2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol?
(2E,4E)-5-amino-5-chloropenta-2,4-dien-2-ol has a molecular weight of 133.58 g/mol, XLogP of 1.49, 1 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-chloropenta-2,4-dien-2-ol is sourced from PubChem (CID 143972446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).