(Z)-2-aminohept-5-en-3-ol

C7H15NO — CID 54478582

IUPAC(Z)-2-aminohept-5-en-3-ol
SMILESC/C=C\CC(O)C(C)N
InChIInChI=1S/C7H15NO/c1-3-4-5-7(9)6(2)8/h3-4,6-7,9H,5,8H2,1-2H3/b4-3-
InChIKeyXNJBXLMWYQWIPX-ARJAWSKDSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds3

About (Z)-2-aminohept-5-en-3-ol

(Z)-2-aminohept-5-en-3-ol (PubChem CID 54478582) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (Z)-2-aminohept-5-en-3-ol.

Molecular Properties

Compound Name(Z)-2-aminohept-5-en-3-ol
PubChem CID54478582
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(Z)-2-aminohept-5-en-3-ol
SMILESC/C=C\CC(O)C(C)N
InChIInChI=1S/C7H15NO/c1-3-4-5-7(9)6(2)8/h3-4,6-7,9H,5,8H2,1-2H3/b4-3-
InChIKeyXNJBXLMWYQWIPX-ARJAWSKDSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminohept-5-en-3-ol?
The IUPAC name of (Z)-2-aminohept-5-en-3-ol (CID 54478582) is (Z)-2-aminohept-5-en-3-ol.
What is the SMILES notation for (Z)-2-aminohept-5-en-3-ol?
The canonical SMILES for (Z)-2-aminohept-5-en-3-ol is C/C=C\CC(O)C(C)N.
What is the InChIKey of (Z)-2-aminohept-5-en-3-ol?
The InChIKey is XNJBXLMWYQWIPX-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-5-7(9)6(2)8/h3-4,6-7,9H,5,8H2,1-2H3/b4-3-.
What are the key properties of (Z)-2-aminohept-5-en-3-ol?
(Z)-2-aminohept-5-en-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminohept-5-en-3-ol is sourced from PubChem (CID 54478582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).