(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol

C7H11NO — CID 142883344

IUPAC(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol
SMILESC/C(O)=C\C=C/C=C/N
InChIInChI=1S/C7H11NO/c1-7(9)5-3-2-4-6-8/h2-6,9H,8H2,1H3/b3-2-,6-4+,7-5+
InChIKeyCMVLAFIDKKLTTM-QFXLCQRPSA-N
MW125.17 g/mol
LogP1.48
Rot. Bonds2

About (2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol

(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol (PubChem CID 142883344) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol.

Molecular Properties

Compound Name(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol
PubChem CID142883344
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol
SMILESC/C(O)=C\C=C/C=C/N
InChIInChI=1S/C7H11NO/c1-7(9)5-3-2-4-6-8/h2-6,9H,8H2,1H3/b3-2-,6-4+,7-5+
InChIKeyCMVLAFIDKKLTTM-QFXLCQRPSA-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

(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761
(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
CID 89363639
(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
CID 89016465
(2Z,4E,6Z)-octa-2,4,6-triene-2,6-diol
CID 88665396
(2E,4E,6E)-7-aminohepta-2,4,6-trienoic acid
CID 101066529
(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
CID 143275427
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
CID 144743431
(1E,3Z)-5-methylhexa-1,3-dien-1-amine
CID 163516351
(3E)-penta-1,3-diene-1,1,4-triol
CID 167098733
5-methylhexa-2,4-dien-2-ol
CID 173388590

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol?
The IUPAC name of (2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol (CID 142883344) is (2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol.
What is the SMILES notation for (2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol?
The canonical SMILES for (2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol is C/C(O)=C\C=C/C=C/N.
What is the InChIKey of (2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol?
The InChIKey is CMVLAFIDKKLTTM-QFXLCQRPSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(9)5-3-2-4-6-8/h2-6,9H,8H2,1H3/b3-2-,6-4+,7-5+.
What are the key properties of (2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol?
(2E,4Z,6E)-7-aminohepta-2,4,6-trien-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 (2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol is sourced from PubChem (CID 142883344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).