cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone

C15H25NO — CID 106976907

IUPACcyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)C2=CCCCCC2)CCCN1
InChIInChI=1S/C15H25NO/c1-2-10-15(11-7-12-16-15)14(17)13-8-5-3-4-6-9-13/h8,16H,2-7,9-12H2,1H3
InChIKeyYEVZMZBQENGPMY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.37
Rot. Bonds4

About cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone

cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106976907) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106976907
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Namecyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)C2=CCCCCC2)CCCN1
InChIInChI=1S/C15H25NO/c1-2-10-15(11-7-12-16-15)14(17)13-8-5-3-4-6-9-13/h8,16H,2-7,9-12H2,1H3
InChIKeyYEVZMZBQENGPMY-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976718
(2-chlorophenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976650
N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106975067
piperidin-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106974101
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
cyclopentyl-(2-propylpyrrolidin-2-yl)methanone
CID 106976587
(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976698
cycloocten-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 106655318
N-ethyl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974201
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
N-methyl-N-(4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975073

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone (CID 106976907) is cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)C2=CCCCCC2)CCCN1.
What is the InChIKey of cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is YEVZMZBQENGPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-10-15(11-7-12-16-15)14(17)13-8-5-3-4-6-9-13/h8,16H,2-7,9-12H2,1H3.
What are the key properties of cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone?
cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 235.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106976907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).