4-butyl-1-hydroxyazonan-2-one

C12H23NO2 — CID 154939767

IUPAC4-butyl-1-hydroxyazonan-2-one
SMILESCCCCC1CCCCCN(O)C(=O)C1
InChIInChI=1S/C12H23NO2/c1-2-3-7-11-8-5-4-6-9-13(15)12(14)10-11/h11,15H,2-10H2,1H3
InChIKeySAUPGOHJNYFDRN-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.97
Rot. Bonds3

About 4-butyl-1-hydroxyazonan-2-one

4-butyl-1-hydroxyazonan-2-one (PubChem CID 154939767) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-butyl-1-hydroxyazonan-2-one.

Molecular Properties

Compound Name4-butyl-1-hydroxyazonan-2-one
PubChem CID154939767
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-butyl-1-hydroxyazonan-2-one
SMILESCCCCC1CCCCCN(O)C(=O)C1
InChIInChI=1S/C12H23NO2/c1-2-3-7-11-8-5-4-6-9-13(15)12(14)10-11/h11,15H,2-10H2,1H3
InChIKeySAUPGOHJNYFDRN-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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heptylcyclohexane;propan-2-one
CID 143570854
carbonyl dichloride;pentylcyclohexane
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(3S)-3-hexylcyclohexan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-hydroxyazonan-2-one?
The IUPAC name of 4-butyl-1-hydroxyazonan-2-one (CID 154939767) is 4-butyl-1-hydroxyazonan-2-one.
What is the SMILES notation for 4-butyl-1-hydroxyazonan-2-one?
The canonical SMILES for 4-butyl-1-hydroxyazonan-2-one is CCCCC1CCCCCN(O)C(=O)C1.
What is the InChIKey of 4-butyl-1-hydroxyazonan-2-one?
The InChIKey is SAUPGOHJNYFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-7-11-8-5-4-6-9-13(15)12(14)10-11/h11,15H,2-10H2,1H3.
What are the key properties of 4-butyl-1-hydroxyazonan-2-one?
4-butyl-1-hydroxyazonan-2-one has a molecular weight of 213.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-hydroxyazonan-2-one is sourced from PubChem (CID 154939767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).