N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide

C12H19NO2 — CID 18320173

IUPACN-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide
SMILESCCCC(=O)NC1CC(=O)C=CC1(C)C
InChIInChI=1S/C12H19NO2/c1-4-5-11(15)13-10-8-9(14)6-7-12(10,2)3/h6-7,10H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyATOTVWIGANHZFW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.83
Rot. Bonds3

About N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide

N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide (PubChem CID 18320173) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide
PubChem CID18320173
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide
SMILESCCCC(=O)NC1CC(=O)C=CC1(C)C
InChIInChI=1S/C12H19NO2/c1-4-5-11(15)13-10-8-9(14)6-7-12(10,2)3/h6-7,10H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyATOTVWIGANHZFW-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)-2,2,2-trifluoroacetamide
CID 101695229
3,3-dimethyl-5-oxo-N-propan-2-ylcyclopentene-1-carboxamide
CID 11830330
N-(2,2-dimethyl-6-methylidene-5-oxocyclohex-3-en-1-yl)propanamide
CID 18320070
N-(2,2-dimethyl-6-methylidene-5-oxocyclohex-3-en-1-yl)butanamide
CID 18320112
4,4-Dimethyl-6-methylidene-5-(propylamino)cyclohex-2-en-1-one
CID 18320186
5-(Ethylamino)-4,4-dimethylcyclohex-2-en-1-one
CID 18320196
6-[1-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320254
N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)formamide
CID 18320263
6-(Ethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 18320278
N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide
CID 18320291
4,4-Dimethyl-6-(propylamino)cyclohex-2-en-1-one
CID 18320310
4,4-Dimethyl-6-(methylamino)cyclohex-2-en-1-one
CID 18320313

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide?
The IUPAC name of N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide (CID 18320173) is N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide.
What is the SMILES notation for N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide?
The canonical SMILES for N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide is CCCC(=O)NC1CC(=O)C=CC1(C)C.
What is the InChIKey of N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide?
The InChIKey is ATOTVWIGANHZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-5-11(15)13-10-8-9(14)6-7-12(10,2)3/h6-7,10H,4-5,8H2,1-3H3,(H,13,15).
What are the key properties of N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide?
N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-5-oxocyclohex-3-en-1-yl)butanamide is sourced from PubChem (CID 18320173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).