(4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone

C11H16FNO — CID 123445741

IUPAC(4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1=CCC(F)CC1)C1CCNC1
InChIInChI=1S/C11H16FNO/c12-10-3-1-8(2-4-10)11(14)9-5-6-13-7-9/h1,9-10,13H,2-7H2
InChIKeyGOMAMRWYGALLGB-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.61
Rot. Bonds2

About (4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone

(4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone (PubChem CID 123445741) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
PubChem CID123445741
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1=CCC(F)CC1)C1CCNC1
InChIInChI=1S/C11H16FNO/c12-10-3-1-8(2-4-10)11(14)9-5-6-13-7-9/h1,9-10,13H,2-7H2
InChIKeyGOMAMRWYGALLGB-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorocyclohexen-1-yl)-piperidin-4-ylmethanone
CID 68199885
(3,5-Dichloro-3-fluorocyclohexa-1,4-dien-1-yl)-[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanone
CID 71251723
4,5-Difluoro-5-(pyrrolidin-3-ylmethyl)cyclohexa-1,3-diene-1-carboxamide
CID 142793354
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
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
2,4,4-Trimethyl-6-methylidene-3-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 53978484
4,4-Dimethyl-2-(pyrrolidin-3-ylmethyl)cyclohex-2-en-1-one
CID 54246793

Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone (CID 123445741) is (4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone is O=C(C1=CCC(F)CC1)C1CCNC1.
What is the InChIKey of (4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is GOMAMRWYGALLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c12-10-3-1-8(2-4-10)11(14)9-5-6-13-7-9/h1,9-10,13H,2-7H2.
What are the key properties of (4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone?
(4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 197.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 123445741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).