(2Z)-3-aminohepta-2,6-dien-2-ol

C7H13NO — CID 156561271

IUPAC(2Z)-3-aminohepta-2,6-dien-2-ol
SMILESC=CCC/C(N)=C(\C)O
InChIInChI=1S/C7H13NO/c1-3-4-5-7(8)6(2)9/h3,9H,1,4-5,8H2,2H3/b7-6-
InChIKeyXNZMESHNCJVQIF-SREVYHEPSA-N
MW127.19 g/mol
LogP1.70
Rot. Bonds3

About (2Z)-3-aminohepta-2,6-dien-2-ol

(2Z)-3-aminohepta-2,6-dien-2-ol (PubChem CID 156561271) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2Z)-3-aminohepta-2,6-dien-2-ol.

Molecular Properties

Compound Name(2Z)-3-aminohepta-2,6-dien-2-ol
PubChem CID156561271
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2Z)-3-aminohepta-2,6-dien-2-ol
SMILESC=CCC/C(N)=C(\C)O
InChIInChI=1S/C7H13NO/c1-3-4-5-7(8)6(2)9/h3,9H,1,4-5,8H2,2H3/b7-6-
InChIKeyXNZMESHNCJVQIF-SREVYHEPSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-aminohepta-2,6-dien-2-ol?
The IUPAC name of (2Z)-3-aminohepta-2,6-dien-2-ol (CID 156561271) is (2Z)-3-aminohepta-2,6-dien-2-ol.
What is the SMILES notation for (2Z)-3-aminohepta-2,6-dien-2-ol?
The canonical SMILES for (2Z)-3-aminohepta-2,6-dien-2-ol is C=CCC/C(N)=C(\C)O.
What is the InChIKey of (2Z)-3-aminohepta-2,6-dien-2-ol?
The InChIKey is XNZMESHNCJVQIF-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-5-7(8)6(2)9/h3,9H,1,4-5,8H2,2H3/b7-6-.
What are the key properties of (2Z)-3-aminohepta-2,6-dien-2-ol?
(2Z)-3-aminohepta-2,6-dien-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-aminohepta-2,6-dien-2-ol is sourced from PubChem (CID 156561271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).