2-(1-nitrosoethyl)cyclotridecan-1-one

C15H27NO2 — CID 91250049

IUPAC2-(1-nitrosoethyl)cyclotridecan-1-one
SMILESCC(N=O)C1CCCCCCCCCCCC1=O
InChIInChI=1S/C15H27NO2/c1-13(16-18)14-11-9-7-5-3-2-4-6-8-10-12-15(14)17/h13-14H,2-12H2,1H3
InChIKeyDRGXMGQBRBOAEC-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.63
Rot. Bonds2

About 2-(1-nitrosoethyl)cyclotridecan-1-one

2-(1-nitrosoethyl)cyclotridecan-1-one (PubChem CID 91250049) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(1-nitrosoethyl)cyclotridecan-1-one.

Molecular Properties

Compound Name2-(1-nitrosoethyl)cyclotridecan-1-one
PubChem CID91250049
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(1-nitrosoethyl)cyclotridecan-1-one
SMILESCC(N=O)C1CCCCCCCCCCCC1=O
InChIInChI=1S/C15H27NO2/c1-13(16-18)14-11-9-7-5-3-2-4-6-8-10-12-15(14)17/h13-14H,2-12H2,1H3
InChIKeyDRGXMGQBRBOAEC-UHFFFAOYSA-N
XLogP4.63
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
2-(1-cyclohexylethyl)cyclopentan-1-one
CID 59616208
2-(4-hydroxybutan-2-yl)cycloheptan-1-one
CID 130126460
(2S)-2-(dimethoxymethyl)cyclohexan-1-one
CID 92982538
methyl 2-(2-oxocycloheptyl)propanoate
CID 70625293
2-[hydroxy(methoxy)methyl]cycloheptan-1-one
CID 123902559
(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one
CID 134987764
2-(1-bromoethyl)cyclopentan-1-one
CID 174906368
2-butan-2-ylcyclohexan-1-one;ethanol
CID 175323159
2-(1-hydroxybutyl)cycloheptan-1-one
CID 22618934
(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
CID 134922507
dimethyl 2-[(1S)-2-oxocycloheptyl]propanedioate
CID 101252354

Frequently Asked Questions

What is the IUPAC name of 2-(1-nitrosoethyl)cyclotridecan-1-one?
The IUPAC name of 2-(1-nitrosoethyl)cyclotridecan-1-one (CID 91250049) is 2-(1-nitrosoethyl)cyclotridecan-1-one.
What is the SMILES notation for 2-(1-nitrosoethyl)cyclotridecan-1-one?
The canonical SMILES for 2-(1-nitrosoethyl)cyclotridecan-1-one is CC(N=O)C1CCCCCCCCCCCC1=O.
What is the InChIKey of 2-(1-nitrosoethyl)cyclotridecan-1-one?
The InChIKey is DRGXMGQBRBOAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-13(16-18)14-11-9-7-5-3-2-4-6-8-10-12-15(14)17/h13-14H,2-12H2,1H3.
What are the key properties of 2-(1-nitrosoethyl)cyclotridecan-1-one?
2-(1-nitrosoethyl)cyclotridecan-1-one has a molecular weight of 253.39 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitrosoethyl)cyclotridecan-1-one is sourced from PubChem (CID 91250049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).