2-(pyrrolidine-1-carbonyl)cyclohexan-1-one

C11H17NO2 — CID 13413184

IUPAC2-(pyrrolidine-1-carbonyl)cyclohexan-1-one
SMILESO=C1CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C11H17NO2/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h9H,1-8H2
InChIKeyIIOAYIYYVNBKRY-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.37
Rot. Bonds1

About 2-(pyrrolidine-1-carbonyl)cyclohexan-1-one

2-(pyrrolidine-1-carbonyl)cyclohexan-1-one (PubChem CID 13413184) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(pyrrolidine-1-carbonyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(pyrrolidine-1-carbonyl)cyclohexan-1-one
PubChem CID13413184
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(pyrrolidine-1-carbonyl)cyclohexan-1-one
SMILESO=C1CCCCC1C(=O)N1CCCC1
InChIInChI=1S/C11H17NO2/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h9H,1-8H2
InChIKeyIIOAYIYYVNBKRY-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-Cyclohexyl-1-pyrrolidin-1-ylheptan-1-one
CID 155538030
N-(2-methyl-3-oxodecanoyl)pyrrolidine
CID 10682323
Cyclohexyl(pyrrolidin-1-yl)methanone
CID 5087171
2-Methyl-1-(2-oxopyrrolidin-1-yl)decane-1,3-dione
CID 10730556
2-Methyl-1-pyrrolidin-1-yldecane-1,3-dione
CID 169491632
2-(Pyrrolidin-1-ylmethyl)cyclohexan-1-one;hydrochloride
CID 375935
2-(Pyrrolidin-1-ylmethyl)cyclohexanone
CID 375936
4-Cyclohexyl-1-(pyrrolidin-1-yl)butan-1-one
CID 12760908
N,N-diethyl-2-oxocyclohexane-1-carboxamide
CID 58194812
2-Cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
CID 68744327
2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone
CID 68744328
Cyclohexanecarboxamide, N,N-dimethyl-2-oxo-
CID 541996

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidine-1-carbonyl)cyclohexan-1-one?
The IUPAC name of 2-(pyrrolidine-1-carbonyl)cyclohexan-1-one (CID 13413184) is 2-(pyrrolidine-1-carbonyl)cyclohexan-1-one.
What is the SMILES notation for 2-(pyrrolidine-1-carbonyl)cyclohexan-1-one?
The canonical SMILES for 2-(pyrrolidine-1-carbonyl)cyclohexan-1-one is O=C1CCCCC1C(=O)N1CCCC1.
What is the InChIKey of 2-(pyrrolidine-1-carbonyl)cyclohexan-1-one?
The InChIKey is IIOAYIYYVNBKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h9H,1-8H2.
What are the key properties of 2-(pyrrolidine-1-carbonyl)cyclohexan-1-one?
2-(pyrrolidine-1-carbonyl)cyclohexan-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidine-1-carbonyl)cyclohexan-1-one is sourced from PubChem (CID 13413184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).