cyclopent-2-en-1-one;5-methylhexanamide

C12H21NO2 — CID 163194245

IUPACcyclopent-2-en-1-one;5-methylhexanamide
SMILESCC(C)CCCC(N)=O.O=C1C=CCC1
InChIInChI=1S/C7H15NO.C5H6O/c1-6(2)4-3-5-7(8)9;6-5-3-1-2-4-5/h6H,3-5H2,1-2H3,(H2,8,9);1,3H,2,4H2
InChIKeyNSFAVDLVKSEZKW-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.20
Rot. Bonds4

About cyclopent-2-en-1-one;5-methylhexanamide

cyclopent-2-en-1-one;5-methylhexanamide (PubChem CID 163194245) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclopent-2-en-1-one;5-methylhexanamide.

Molecular Properties

Compound Namecyclopent-2-en-1-one;5-methylhexanamide
PubChem CID163194245
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclopent-2-en-1-one;5-methylhexanamide
SMILESCC(C)CCCC(N)=O.O=C1C=CCC1
InChIInChI=1S/C7H15NO.C5H6O/c1-6(2)4-3-5-7(8)9;6-5-3-1-2-4-5/h6H,3-5H2,1-2H3,(H2,8,9);1,3H,2,4H2
InChIKeyNSFAVDLVKSEZKW-UHFFFAOYSA-N
XLogP2.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopent-2-en-1-one;5-methylhexanamide?
The IUPAC name of cyclopent-2-en-1-one;5-methylhexanamide (CID 163194245) is cyclopent-2-en-1-one;5-methylhexanamide.
What is the SMILES notation for cyclopent-2-en-1-one;5-methylhexanamide?
The canonical SMILES for cyclopent-2-en-1-one;5-methylhexanamide is CC(C)CCCC(N)=O.O=C1C=CCC1.
What is the InChIKey of cyclopent-2-en-1-one;5-methylhexanamide?
The InChIKey is NSFAVDLVKSEZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C5H6O/c1-6(2)4-3-5-7(8)9;6-5-3-1-2-4-5/h6H,3-5H2,1-2H3,(H2,8,9);1,3H,2,4H2.
What are the key properties of cyclopent-2-en-1-one;5-methylhexanamide?
cyclopent-2-en-1-one;5-methylhexanamide has a molecular weight of 211.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-one;5-methylhexanamide is sourced from PubChem (CID 163194245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).