5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride

C11H20ClNO — CID 115030387

IUPAC5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride
SMILESCC1(C2CCCCC2)CC(=O)CN1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-11(7-10(13)8-12-11)9-5-3-2-4-6-9;/h9,12H,2-8H2,1H3;1H
InChIKeyYBBUSBSULXFKRW-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.31
Rot. Bonds1

About 5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride

5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride (PubChem CID 115030387) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride
PubChem CID115030387
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride
SMILESCC1(C2CCCCC2)CC(=O)CN1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-11(7-10(13)8-12-11)9-5-3-2-4-6-9;/h9,12H,2-8H2,1H3;1H
InChIKeyYBBUSBSULXFKRW-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115038629
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4-cyclohexyl-4-methylpyrrolidin-2-one
CID 66108681
1-cyclohexyl-3-cyclopropyl-3-methyl-4,5-dihydro-2H-1,4-benzodiazepine
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(5S)-5-cyclohexyl-5-methylimidazolidine-2,4-dione
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(4aS,8aS)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-quinoline
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride?
The IUPAC name of 5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride (CID 115030387) is 5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride?
The canonical SMILES for 5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride is CC1(C2CCCCC2)CC(=O)CN1.Cl.
What is the InChIKey of 5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride?
The InChIKey is YBBUSBSULXFKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.ClH/c1-11(7-10(13)8-12-11)9-5-3-2-4-6-9;/h9,12H,2-8H2,1H3;1H.
What are the key properties of 5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride?
5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-5-methylpyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 115030387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).