(2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol

C8H13NO — CID 135196934

IUPAC(2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol
SMILESC/C=C\C=C(/C=C\N)CO
InChIInChI=1S/C8H13NO/c1-2-3-4-8(7-10)5-6-9/h2-6,10H,7,9H2,1H3/b3-2-,6-5-,8-4+
InChIKeyPXXWGTCMUDHHGZ-LOLLKRFMSA-N
MW139.20 g/mol
LogP0.95
Rot. Bonds3

About (2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol

(2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol (PubChem CID 135196934) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol
PubChem CID135196934
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol
SMILESC/C=C\C=C(/C=C\N)CO
InChIInChI=1S/C8H13NO/c1-2-3-4-8(7-10)5-6-9/h2-6,10H,7,9H2,1H3/b3-2-,6-5-,8-4+
InChIKeyPXXWGTCMUDHHGZ-LOLLKRFMSA-N
XLogP0.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.95
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 (2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol?
The IUPAC name of (2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol (CID 135196934) is (2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol.
What is the SMILES notation for (2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol?
The canonical SMILES for (2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol is C/C=C\C=C(/C=C\N)CO.
What is the InChIKey of (2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol?
The InChIKey is PXXWGTCMUDHHGZ-LOLLKRFMSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-8(7-10)5-6-9/h2-6,10H,7,9H2,1H3/b3-2-,6-5-,8-4+.
What are the key properties of (2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol?
(2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-[(Z)-2-aminoethenyl]hexa-2,4-dien-1-ol is sourced from PubChem (CID 135196934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).