(2Z)-5-aminohepta-2,6-dien-1-ol

C7H13NO — CID 89038964

IUPAC(2Z)-5-aminohepta-2,6-dien-1-ol
SMILESC=CC(N)C/C=C\CO
InChIInChI=1S/C7H13NO/c1-2-7(8)5-3-4-6-9/h2-4,7,9H,1,5-6,8H2/b4-3-
InChIKeyUWUAVCBNGBGUIV-ARJAWSKDSA-N
MW127.19 g/mol
LogP0.44
Rot. Bonds4

About (2Z)-5-aminohepta-2,6-dien-1-ol

(2Z)-5-aminohepta-2,6-dien-1-ol (PubChem CID 89038964) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2Z)-5-aminohepta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2Z)-5-aminohepta-2,6-dien-1-ol
PubChem CID89038964
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2Z)-5-aminohepta-2,6-dien-1-ol
SMILESC=CC(N)C/C=C\CO
InChIInChI=1S/C7H13NO/c1-2-7(8)5-3-4-6-9/h2-4,7,9H,1,5-6,8H2/b4-3-
InChIKeyUWUAVCBNGBGUIV-ARJAWSKDSA-N
XLogP0.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1-amino-3-fluorohepta-2,6-dien-1-ol
CID 143872707
(Z,4R)-4-amino-3-fluoropent-2-en-1-ol
CID 169118634
(Z)-4-amino-3-fluoropent-2-en-1-ol
CID 169750890
4-Amino-3-fluoropent-2-en-1-ol
CID 172398886
6-Amino-hex-2-en-1-ol
CID 5466592
4-Aminohexenetriol
CID 129671836
(E)-4-amino-5-methylhex-2-en-1-ol
CID 5368009
2-(E)-Hexen-1-ol, (4S)-4-amino-5-methyl-
CID 10080425
CID 533919
CID 533919
(E)-6-aminohex-2-en-1-ol
CID 6536837
(2E)-4-aminohexa-2,5-dien-1-ol
CID 13623615
(E)-4-aminopent-2-en-1-ol
CID 22024754

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-aminohepta-2,6-dien-1-ol?
The IUPAC name of (2Z)-5-aminohepta-2,6-dien-1-ol (CID 89038964) is (2Z)-5-aminohepta-2,6-dien-1-ol.
What is the SMILES notation for (2Z)-5-aminohepta-2,6-dien-1-ol?
The canonical SMILES for (2Z)-5-aminohepta-2,6-dien-1-ol is C=CC(N)C/C=C\CO.
What is the InChIKey of (2Z)-5-aminohepta-2,6-dien-1-ol?
The InChIKey is UWUAVCBNGBGUIV-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7(8)5-3-4-6-9/h2-4,7,9H,1,5-6,8H2/b4-3-.
What are the key properties of (2Z)-5-aminohepta-2,6-dien-1-ol?
(2Z)-5-aminohepta-2,6-dien-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-aminohepta-2,6-dien-1-ol is sourced from PubChem (CID 89038964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).