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

C11H17NO2 — CID 18320291

IUPACN-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide
SMILESCCC(=O)NC1CC(C)(C)C=CC1=O
InChIInChI=1S/C11H17NO2/c1-4-10(14)12-8-7-11(2,3)6-5-9(8)13/h5-6,8H,4,7H2,1-3H3,(H,12,14)
InChIKeyUNTAUSJVBKCUEC-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.44
Rot. Bonds2

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

N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide (PubChem CID 18320291) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide
PubChem CID18320291
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide
SMILESCCC(=O)NC1CC(C)(C)C=CC1=O
InChIInChI=1S/C11H17NO2/c1-4-10(14)12-8-7-11(2,3)6-5-9(8)13/h5-6,8H,4,7H2,1-3H3,(H,12,14)
InChIKeyUNTAUSJVBKCUEC-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide?
The IUPAC name of N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide (CID 18320291) is N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide.
What is the SMILES notation for N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide?
The canonical SMILES for N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide is CCC(=O)NC1CC(C)(C)C=CC1=O.
What is the InChIKey of N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide?
The InChIKey is UNTAUSJVBKCUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-10(14)12-8-7-11(2,3)6-5-9(8)13/h5-6,8H,4,7H2,1-3H3,(H,12,14).
What are the key properties of N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide?
N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide has a molecular weight of 195.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-2-oxocyclohex-3-en-1-yl)propanamide is sourced from PubChem (CID 18320291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).