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

C7H11NO — CID 89187292

IUPAC(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=C/N)CO
InChIInChI=1S/C7H11NO/c1-2-3-7(6-9)4-5-8/h2-5,9H,1,6,8H2/b5-4-,7-3+
InChIKeyFFVFOFSWLAXVHC-SBYNAHCQSA-N
MW125.17 g/mol
LogP0.56
Rot. Bonds3

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

(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol (PubChem CID 89187292) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol
PubChem CID89187292
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol
SMILESC=C/C=C(\C=C/N)CO
InChIInChI=1S/C7H11NO/c1-2-3-7(6-9)4-5-8/h2-5,9H,1,6,8H2/b5-4-,7-3+
InChIKeyFFVFOFSWLAXVHC-SBYNAHCQSA-N
XLogP0.56
TPSA46.25 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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dihydropyridin-4-ylmethanol
CID 426212
1H-azepin-3-ylmethanol
CID 22019459
6-(Aminomethylidene)cyclohexa-2,4-dien-1-ol
CID 67159572
1H-azepin-4-ylmethanol
CID 70473240
5-Aminopenta-2,4-dien-1-ol
CID 76224447
(2E)-2-[(Z)-2-aminoethenyl]-4-bromopenta-2,4-dien-1-ol
CID 88539128
(2Z)-2-[(E)-2-amino-1-chloroethenyl]penta-2,4-dien-1-ol
CID 89008965
(3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol
CID 89208831
(3E)-3-[(Z)-2-aminoethenyl]hexa-3,5-dien-2-ol
CID 89374291
(2E,4Z)-6-amino-2-ethenylhexa-2,4-dien-1-ol
CID 89419030
(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dien-1-ol
CID 126515720
(Z,2S)-5-amino-3-methylidenepent-4-en-2-ol
CID 129296469

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol?
The IUPAC name of (2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol (CID 89187292) is (2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol.
What is the SMILES notation for (2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol?
The canonical SMILES for (2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol is C=C/C=C(\C=C/N)CO.
What is the InChIKey of (2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol?
The InChIKey is FFVFOFSWLAXVHC-SBYNAHCQSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-7(6-9)4-5-8/h2-5,9H,1,6,8H2/b5-4-,7-3+.
What are the key properties of (2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol?
(2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-2-aminoethenyl]penta-2,4-dien-1-ol is sourced from PubChem (CID 89187292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).