N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide

C11H18N2O2 — CID 79161033

IUPACN-(4-oxocyclohexyl)pyrrolidine-1-carboxamide
SMILESO=C1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/C11H18N2O2/c14-10-5-3-9(4-6-10)12-11(15)13-7-1-2-8-13/h9H,1-8H2,(H,12,15)
InChIKeyXNZOEESHCUGUFN-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.30
Rot. Bonds1

About N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide

N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide (PubChem CID 79161033) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-oxocyclohexyl)pyrrolidine-1-carboxamide
PubChem CID79161033
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(4-oxocyclohexyl)pyrrolidine-1-carboxamide
SMILESO=C1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/C11H18N2O2/c14-10-5-3-9(4-6-10)12-11(15)13-7-1-2-8-13/h9H,1-8H2,(H,12,15)
InChIKeyXNZOEESHCUGUFN-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-oxocyclohexyl)piperidine-1-carboxamide
CID 79155633
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide
CID 142009370
N-cyclopentyl-3-oxopyrrolidine-1-carboxamide
CID 130826752
N-(4-aminocyclohexyl)azepane-1-carboxamide
CID 79152451
N-(1-oxothian-4-yl)piperidine-1-carboxamide
CID 104594568
1-cyclobutyl-3-(4-oxocyclohexyl)urea
CID 116658369
N-(azepan-4-yl)pyrrolidine-1-carboxamide
CID 107172613
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743

Frequently Asked Questions

What is the IUPAC name of N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide (CID 79161033) is N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide is O=C1CCC(NC(=O)N2CCCC2)CC1.
What is the InChIKey of N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide?
The InChIKey is XNZOEESHCUGUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-10-5-3-9(4-6-10)12-11(15)13-7-1-2-8-13/h9H,1-8H2,(H,12,15).
What are the key properties of N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide?
N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79161033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).