(2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one

C15H19NO2 — CID 163598073

IUPAC(2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one
SMILESC[C@@]1([C@@H](CN=O)c2ccccc2)CCCCC1=O
InChIInChI=1S/C15H19NO2/c1-15(10-6-5-9-14(15)17)13(11-16-18)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3/t13-,15-/m0/s1
InChIKeyGVFCATMFMJQXRD-ZFWWWQNUSA-N
MW245.32 g/mol
LogP3.69
Rot. Bonds4

About (2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one

(2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one (PubChem CID 163598073) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one
PubChem CID163598073
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one
SMILESC[C@@]1([C@@H](CN=O)c2ccccc2)CCCCC1=O
InChIInChI=1S/C15H19NO2/c1-15(10-6-5-9-14(15)17)13(11-16-18)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3/t13-,15-/m0/s1
InChIKeyGVFCATMFMJQXRD-ZFWWWQNUSA-N
XLogP3.69
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 101389868
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one
CID 101389866
(2S)-2-(1-hydroxy-3-phenylprop-2-ynyl)-2-methylcyclohexan-1-one
CID 101389872
(2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one
CID 102069160
2-bromo-2-[bromo(phenyl)methyl]cyclohexan-1-one
CID 15252359
2-(1-hydroxyethyl)-2-methylcyclohexan-1-one
CID 72760492
(2R)-2-hydroxy-2-[(1S)-1-methyl-2-oxocyclohexyl]acetic acid
CID 100985136
2-acetyl-2-(1-phenylethyl)cyclohexan-1-one
CID 135038981
(2S)-2-[ethyl(methyl)amino]-2-phenylcyclohexan-1-one
CID 166169525
(2R)-2-(methylamino)-2-phenylcyclohexan-1-one
CID 94478337
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
(2R)-2-[(1R)-1-hydroxybutyl]-2-methylcyclohexan-1-one
CID 13129590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one?
The IUPAC name of (2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one (CID 163598073) is (2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one is C[C@@]1([C@@H](CN=O)c2ccccc2)CCCCC1=O.
What is the InChIKey of (2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one?
The InChIKey is GVFCATMFMJQXRD-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(10-6-5-9-14(15)17)13(11-16-18)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3/t13-,15-/m0/s1.
What are the key properties of (2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one?
(2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one has a molecular weight of 245.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one is sourced from PubChem (CID 163598073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).