cyclohexen-1-yl(pyrrolidin-3-yl)methanone

C11H17NO — CID 106655304

IUPACcyclohexen-1-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1=CCCCC1)C1CCNC1
InChIInChI=1S/C11H17NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h4,10,12H,1-3,5-8H2
InChIKeyUJLHHIFBZYOXLC-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.67
Rot. Bonds2

About cyclohexen-1-yl(pyrrolidin-3-yl)methanone

cyclohexen-1-yl(pyrrolidin-3-yl)methanone (PubChem CID 106655304) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is cyclohexen-1-yl(pyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl(pyrrolidin-3-yl)methanone
PubChem CID106655304
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namecyclohexen-1-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1=CCCCC1)C1CCNC1
InChIInChI=1S/C11H17NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h4,10,12H,1-3,5-8H2
InChIKeyUJLHHIFBZYOXLC-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorocyclohexen-1-yl)-piperidin-4-ylmethanone
CID 68199885
(4-Fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
CID 123445741
2,3,7,7a-Tetrahydro-1h-isoindol-5(6h)-one
CID 133188431
1H-Inden-1-one, 2,3,4,5,6,7-hexahydro-2-[(propylamino)methyl]-
CID 3021241
Cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655347
Cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655348
Cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655349
1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-2-methylpropan-1-one
CID 101659988
5,5-Dimethyl-2-piperidin-3-ylcyclohex-2-en-1-one
CID 22712717
4,4-Dimethyl-2-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-one
CID 53689335
2-(3,3-Dimethylpyrrolidin-2-yl)-6-methylidenecyclohex-2-en-1-one
CID 53709339
4,4-Dimethyl-6-methylidene-2-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 53815165

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(pyrrolidin-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl(pyrrolidin-3-yl)methanone (CID 106655304) is cyclohexen-1-yl(pyrrolidin-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl(pyrrolidin-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl(pyrrolidin-3-yl)methanone is O=C(C1=CCCCC1)C1CCNC1.
What is the InChIKey of cyclohexen-1-yl(pyrrolidin-3-yl)methanone?
The InChIKey is UJLHHIFBZYOXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h4,10,12H,1-3,5-8H2.
What are the key properties of cyclohexen-1-yl(pyrrolidin-3-yl)methanone?
cyclohexen-1-yl(pyrrolidin-3-yl)methanone has a molecular weight of 179.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(pyrrolidin-3-yl)methanone is sourced from PubChem (CID 106655304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).