(2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol

C7H10ClNO — CID 89008965

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

About (2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol

(2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol (PubChem CID 89008965) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is (2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol
PubChem CID89008965
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name(2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol
SMILESC=C/C=C(CO)\C(Cl)=C/N
InChIInChI=1S/C7H10ClNO/c1-2-3-6(5-10)7(8)4-9/h2-4,10H,1,5,9H2/b6-3-,7-4+
InChIKeyXQSWTPAQJMJPDY-UCZKPGLMSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol?
The IUPAC name of (2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol (CID 89008965) is (2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol.
What is the SMILES notation for (2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol?
The canonical SMILES for (2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol is C=C/C=C(CO)\C(Cl)=C/N.
What is the InChIKey of (2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol?
The InChIKey is XQSWTPAQJMJPDY-UCZKPGLMSA-N. The full InChI is InChI=1S/C7H10ClNO/c1-2-3-6(5-10)7(8)4-9/h2-4,10H,1,5,9H2/b6-3-,7-4+.
What are the key properties of (2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol?
(2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-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 (2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol is sourced from PubChem (CID 89008965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).