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

C14H23NO — CID 106655325

IUPACcyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)C2=CCCCC2)CCNC1
InChIInChI=1S/C14H23NO/c1-2-8-14(9-10-15-11-14)13(16)12-6-4-3-5-7-12/h6,15H,2-5,7-11H2,1H3
InChIKeyOBNIXYJUSVDOAR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.84
Rot. Bonds4

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

cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 106655325) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone
PubChem CID106655325
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Namecyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)C2=CCCCC2)CCNC1
InChIInChI=1S/C14H23NO/c1-2-8-14(9-10-15-11-14)13(16)12-6-4-3-5-7-12/h6,15H,2-5,7-11H2,1H3
InChIKeyOBNIXYJUSVDOAR-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone (CID 106655325) is cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)C2=CCCCC2)CCNC1.
What is the InChIKey of cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is OBNIXYJUSVDOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-8-14(9-10-15-11-14)13(16)12-6-4-3-5-7-12/h6,15H,2-5,7-11H2,1H3.
What are the key properties of cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone?
cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 221.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106655325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).