cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone

C11H19NO — CID 67293921

IUPACcyclohexyl-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C(C1CCCCC1)[C@@H]1CCNC1
InChIInChI=1S/C11H19NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h9-10,12H,1-8H2/t10-/m1/s1
InChIKeyJNFCXCHDJXAIBB-SNVBAGLBSA-N
MW181.28 g/mol
LogP1.75
Rot. Bonds2

About cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone

cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 67293921) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID67293921
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecyclohexyl-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C(C1CCCCC1)[C@@H]1CCNC1
InChIInChI=1S/C11H19NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h9-10,12H,1-8H2/t10-/m1/s1
InChIKeyJNFCXCHDJXAIBB-SNVBAGLBSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pyrrolidinone, 5-(cyclohexylmethyl)-
CID 558370
4-Cyclohexylpyrrolidin-2-one
CID 17922682
2-(Pyrrolidin-2-yl)cyclohexan-1-one hydrochloride
CID 71755692
2-Azaspiro[4.5]decan-8-one hydrochloride
CID 127263730
Hexahydro-1H-isoindol-4(2H)-one
CID 19957562
3-Methyl-1-(pyrrolidin-2-YL)butan-2-one
CID 23588201
1-Azaspiro[4.5]decan-3-one
CID 67157664
2-Azaspiro[4.5]decan-8-one
CID 68652733
2-(Pyrrolidin-2-yl)cyclohexan-1-one
CID 71755693
(2-Ethylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 113538314
2-Cyclohexyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 113538333
(4-Ethylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 113538335

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone (CID 67293921) is cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone is O=C(C1CCCCC1)[C@@H]1CCNC1.
What is the InChIKey of cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is JNFCXCHDJXAIBB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h9-10,12H,1-8H2/t10-/m1/s1.
What are the key properties of cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone?
cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 181.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 67293921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).