1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one

C14H21NO2 — CID 12043988

IUPAC1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one
SMILESC[C@@H]1CC=C(CCCN2CCCC2=O)C(=O)C1
InChIInChI=1S/C14H21NO2/c1-11-6-7-12(13(16)10-11)4-2-8-15-9-3-5-14(15)17/h7,11H,2-6,8-10H2,1H3/t11-/m1/s1
InChIKeyDQHMITDFLUTHSW-LLVKDONJSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds4

About 1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one

1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one (PubChem CID 12043988) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one
PubChem CID12043988
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one
SMILESC[C@@H]1CC=C(CCCN2CCCC2=O)C(=O)C1
InChIInChI=1S/C14H21NO2/c1-11-6-7-12(13(16)10-11)4-2-8-15-9-3-5-14(15)17/h7,11H,2-6,8-10H2,1H3/t11-/m1/s1
InChIKeyDQHMITDFLUTHSW-LLVKDONJSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one (CID 12043988) is 1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one is C[C@@H]1CC=C(CCCN2CCCC2=O)C(=O)C1.
What is the InChIKey of 1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is DQHMITDFLUTHSW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-6-7-12(13(16)10-11)4-2-8-15-9-3-5-14(15)17/h7,11H,2-6,8-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one?
1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4R)-4-methyl-6-oxocyclohexen-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 12043988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).