8-(azepan-1-yl)-1-hydroxyiminooctan-2-one

C14H26N2O2 — CID 6817366

IUPAC8-(azepan-1-yl)-1-hydroxyiminooctan-2-one
SMILESO=C(C=NO)CCCCCCN1CCCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(13-15-18)9-5-1-2-6-10-16-11-7-3-4-8-12-16/h13,18H,1-12H2
InChIKeyFSQUTSYEUHSIMK-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.84
Rot. Bonds8

About 8-(azepan-1-yl)-1-hydroxyiminooctan-2-one

8-(azepan-1-yl)-1-hydroxyiminooctan-2-one (PubChem CID 6817366) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 8-(azepan-1-yl)-1-hydroxyiminooctan-2-one.

Molecular Properties

Compound Name8-(azepan-1-yl)-1-hydroxyiminooctan-2-one
PubChem CID6817366
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name8-(azepan-1-yl)-1-hydroxyiminooctan-2-one
SMILESO=C(C=NO)CCCCCCN1CCCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(13-15-18)9-5-1-2-6-10-16-11-7-3-4-8-12-16/h13,18H,1-12H2
InChIKeyFSQUTSYEUHSIMK-UHFFFAOYSA-N
XLogP2.84
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

(1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one
CID 6870353
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CID 175975624
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766
2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride
CID 85039251
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
1-hept-6-enylpiperidine
CID 143080853
(1E)-10-(dimethylamino)-1-hydroxyiminodecan-2-one
CID 17027005
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
acetic acid;1-nonylpiperidine
CID 175874764

Frequently Asked Questions

What is the IUPAC name of 8-(azepan-1-yl)-1-hydroxyiminooctan-2-one?
The IUPAC name of 8-(azepan-1-yl)-1-hydroxyiminooctan-2-one (CID 6817366) is 8-(azepan-1-yl)-1-hydroxyiminooctan-2-one.
What is the SMILES notation for 8-(azepan-1-yl)-1-hydroxyiminooctan-2-one?
The canonical SMILES for 8-(azepan-1-yl)-1-hydroxyiminooctan-2-one is O=C(C=NO)CCCCCCN1CCCCCC1.
What is the InChIKey of 8-(azepan-1-yl)-1-hydroxyiminooctan-2-one?
The InChIKey is FSQUTSYEUHSIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-14(13-15-18)9-5-1-2-6-10-16-11-7-3-4-8-12-16/h13,18H,1-12H2.
What are the key properties of 8-(azepan-1-yl)-1-hydroxyiminooctan-2-one?
8-(azepan-1-yl)-1-hydroxyiminooctan-2-one has a molecular weight of 254.37 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azepan-1-yl)-1-hydroxyiminooctan-2-one is sourced from PubChem (CID 6817366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).