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

C13H21NO — CID 106655322

IUPACcyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)C2=CCCCC2)CCNC1
InChIInChI=1S/C13H21NO/c1-2-13(8-9-14-10-13)12(15)11-6-4-3-5-7-11/h6,14H,2-5,7-10H2,1H3
InChIKeyOBGIFXKYBBXNMQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds3

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

cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone (PubChem CID 106655322) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone
PubChem CID106655322
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namecyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)C2=CCCCC2)CCNC1
InChIInChI=1S/C13H21NO/c1-2-13(8-9-14-10-13)12(15)11-6-4-3-5-7-11/h6,14H,2-5,7-10H2,1H3
InChIKeyOBGIFXKYBBXNMQ-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone (CID 106655322) is cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone is CCC1(C(=O)C2=CCCCC2)CCNC1.
What is the InChIKey of cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
The InChIKey is OBGIFXKYBBXNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-13(8-9-14-10-13)12(15)11-6-4-3-5-7-11/h6,14H,2-5,7-10H2,1H3.
What are the key properties of cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone?
cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone has a molecular weight of 207.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(3-ethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106655322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).