cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone

C12H19NO — CID 106655424

IUPACcyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)C2=CCCCC2)CCCN1
InChIInChI=1S/C12H19NO/c1-12(8-5-9-13-12)11(14)10-6-3-2-4-7-10/h6,13H,2-5,7-9H2,1H3
InChIKeyDRJOHVUFUCJGDU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.20
Rot. Bonds2

About cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone

cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 106655424) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone
PubChem CID106655424
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Namecyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)C2=CCCCC2)CCCN1
InChIInChI=1S/C12H19NO/c1-12(8-5-9-13-12)11(14)10-6-3-2-4-7-10/h6,13H,2-5,7-9H2,1H3
InChIKeyDRJOHVUFUCJGDU-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
CID 123445741
3-Methyl-1-azaspiro[5.5]undec-3-en-5-one
CID 5200370
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
3-[2-(Ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 53958598
2,4,4-Trimethyl-6-methylidene-3-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 53978484
4,4-Dimethyl-6-methylidene-2-pyrrolidin-2-ylcyclohex-2-en-1-one
CID 54111402
4,4-Dimethyl-2-(pyrrolidin-3-ylmethyl)cyclohex-2-en-1-one
CID 54246793
4,4-Dimethyl-2-pyrrolidin-2-ylcyclohex-2-en-1-one
CID 54256743
4,4-Dimethyl-2-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 54470206
2,4,4-Trimethyl-6-methylidene-3-pyrrolidin-2-ylcyclohex-2-en-1-one
CID 57119025

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone (CID 106655424) is cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)C2=CCCCC2)CCCN1.
What is the InChIKey of cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is DRJOHVUFUCJGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(8-5-9-13-12)11(14)10-6-3-2-4-7-10/h6,13H,2-5,7-9H2,1H3.
What are the key properties of cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone?
cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 193.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106655424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).