cycloheptyl(pyrrolidin-1-yl)methanone

C12H21NO — CID 62778687

IUPACcycloheptyl(pyrrolidin-1-yl)methanone
SMILESO=C(C1CCCCCC1)N1CCCC1
InChIInChI=1S/C12H21NO/c14-12(13-9-5-6-10-13)11-7-3-1-2-4-8-11/h11H,1-10H2
InChIKeyHIUXYSAPIJLSOT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds1

About cycloheptyl(pyrrolidin-1-yl)methanone

cycloheptyl(pyrrolidin-1-yl)methanone (PubChem CID 62778687) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cycloheptyl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namecycloheptyl(pyrrolidin-1-yl)methanone
PubChem CID62778687
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecycloheptyl(pyrrolidin-1-yl)methanone
SMILESO=C(C1CCCCCC1)N1CCCC1
InChIInChI=1S/C12H21NO/c14-12(13-9-5-6-10-13)11-7-3-1-2-4-8-11/h11H,1-10H2
InChIKeyHIUXYSAPIJLSOT-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl(piperidin-1-yl)methanone
CID 12760854
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
1-(cyclohexanecarbonyl)piperidine-4-carbaldehyde
CID 18352871
azepan-1-yl(thian-4-yl)methanone
CID 110856329
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852

Frequently Asked Questions

What is the IUPAC name of cycloheptyl(pyrrolidin-1-yl)methanone?
The IUPAC name of cycloheptyl(pyrrolidin-1-yl)methanone (CID 62778687) is cycloheptyl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for cycloheptyl(pyrrolidin-1-yl)methanone?
The canonical SMILES for cycloheptyl(pyrrolidin-1-yl)methanone is O=C(C1CCCCCC1)N1CCCC1.
What is the InChIKey of cycloheptyl(pyrrolidin-1-yl)methanone?
The InChIKey is HIUXYSAPIJLSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(13-9-5-6-10-13)11-7-3-1-2-4-8-11/h11H,1-10H2.
What are the key properties of cycloheptyl(pyrrolidin-1-yl)methanone?
cycloheptyl(pyrrolidin-1-yl)methanone has a molecular weight of 195.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 62778687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).