(3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol

C7H11NO — CID 142197497

IUPAC(3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol
SMILESC=C(O)C(/C=C\C)=C/N
InChIInChI=1S/C7H11NO/c1-3-4-7(5-8)6(2)9/h3-5,9H,2,8H2,1H3/b4-3-,7-5+
InChIKeyQHHZEYARKCWSQI-QVXLNCAUSA-N
MW125.17 g/mol
LogP1.48
Rot. Bonds2

About (3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol

(3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol (PubChem CID 142197497) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol.

Molecular Properties

Compound Name(3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol
PubChem CID142197497
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol
SMILESC=C(O)C(/C=C\C)=C/N
InChIInChI=1S/C7H11NO/c1-3-4-7(5-8)6(2)9/h3-5,9H,2,8H2,1H3/b4-3-,7-5+
InChIKeyQHHZEYARKCWSQI-QVXLNCAUSA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Aminomethylidene)cyclohexa-1,3-dien-1-ol
CID 67159571
(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-ol
CID 87152872
(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-ol
CID 88274704
(1Z,3Z)-1-aminohepta-1,3-dien-2-ol
CID 88905575
(3Z,5Z)-6-amino-4-ethyl-2-methylidenehexa-3,5-dien-1-ol
CID 89208831
(4Z,6Z)-7-amino-2,6-dimethyl-3-methylidenehepta-4,6-dien-2-ol
CID 90048191
(Z,2E)-1-amino-2-(aminomethylidene)hex-3-en-1-ol
CID 132159494
(3Z,6E)-6-[(E)-2-aminoethenyl]octa-1,3,6-trien-2-ol
CID 138631285
(3Z)-4-(aminomethyl)-2-methylhexa-1,3,5-trien-3-ol;ethane
CID 142547581
(1E,3E,5E)-6-amino-5-methylhexa-1,3,5-triene-1,4-diol
CID 143661098
6-Amino-3-methylhexa-1,3,5-trien-2-ol;ethane
CID 143713797
(4Z)-6-(aminomethyl)-3-methylidenehepta-1,4,6-trien-2-ol
CID 144974462

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol?
The IUPAC name of (3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol (CID 142197497) is (3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol.
What is the SMILES notation for (3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol?
The canonical SMILES for (3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol is C=C(O)C(/C=C\C)=C/N.
What is the InChIKey of (3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol?
The InChIKey is QHHZEYARKCWSQI-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-7(5-8)6(2)9/h3-5,9H,2,8H2,1H3/b4-3-,7-5+.
What are the key properties of (3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol?
(3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol has a molecular weight of 125.17 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-(aminomethylidene)hexa-1,4-dien-2-ol is sourced from PubChem (CID 142197497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).