(4Z)-4-hydroxyiminoheptan-1-ol

C7H15NO2 — CID 155644527

IUPAC(4Z)-4-hydroxyiminoheptan-1-ol
SMILESCCC/C(CCCO)=N/O
InChIInChI=1S/C7H15NO2/c1-2-4-7(8-10)5-3-6-9/h9-10H,2-6H2,1H3/b8-7-
InChIKeyOKMZMXCPVQHUSM-FPLPWBNLSA-N
MW145.20 g/mol
LogP1.39
Rot. Bonds5

About (4Z)-4-hydroxyiminoheptan-1-ol

(4Z)-4-hydroxyiminoheptan-1-ol (PubChem CID 155644527) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (4Z)-4-hydroxyiminoheptan-1-ol.

Molecular Properties

Compound Name(4Z)-4-hydroxyiminoheptan-1-ol
PubChem CID155644527
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(4Z)-4-hydroxyiminoheptan-1-ol
SMILESCCC/C(CCCO)=N/O
InChIInChI=1S/C7H15NO2/c1-2-4-7(8-10)5-3-6-9/h9-10H,2-6H2,1H3/b8-7-
InChIKeyOKMZMXCPVQHUSM-FPLPWBNLSA-N
XLogP1.39
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-hydroxyiminoheptan-1-ol?
The IUPAC name of (4Z)-4-hydroxyiminoheptan-1-ol (CID 155644527) is (4Z)-4-hydroxyiminoheptan-1-ol.
What is the SMILES notation for (4Z)-4-hydroxyiminoheptan-1-ol?
The canonical SMILES for (4Z)-4-hydroxyiminoheptan-1-ol is CCC/C(CCCO)=N/O.
What is the InChIKey of (4Z)-4-hydroxyiminoheptan-1-ol?
The InChIKey is OKMZMXCPVQHUSM-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-4-7(8-10)5-3-6-9/h9-10H,2-6H2,1H3/b8-7-.
What are the key properties of (4Z)-4-hydroxyiminoheptan-1-ol?
(4Z)-4-hydroxyiminoheptan-1-ol has a molecular weight of 145.20 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydroxyiminoheptan-1-ol is sourced from PubChem (CID 155644527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).