1-cyclohexyl-3-iminopyrrolidin-2-one

C10H16N2O — CID 6920742

IUPAC1-cyclohexyl-3-iminopyrrolidin-2-one
SMILES[H]/N=C1\CCN(C2CCCCC2)C1=O
InChIInChI=1S/C10H16N2O/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h8,11H,1-7H2/b11-9+
InChIKeyXTRFGFCTPRMTKQ-PKNBQFBNSA-N
MW180.25 g/mol
LogP1.57
Rot. Bonds1

About 1-cyclohexyl-3-iminopyrrolidin-2-one

1-cyclohexyl-3-iminopyrrolidin-2-one (PubChem CID 6920742) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-cyclohexyl-3-iminopyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-iminopyrrolidin-2-one
PubChem CID6920742
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-cyclohexyl-3-iminopyrrolidin-2-one
SMILES[H]/N=C1\CCN(C2CCCCC2)C1=O
InChIInChI=1S/C10H16N2O/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h8,11H,1-7H2/b11-9+
InChIKeyXTRFGFCTPRMTKQ-PKNBQFBNSA-N
XLogP1.57
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentylpyrrolidin-2-imine
CID 43121965
(4E)-1-cyclohexyl-4-(1-cyclohexyl-2-oxopyrrolidin-3-ylidene)azetidine-2,3-dione
CID 6523752
1-cyclodecylpyrrolidin-2-one
CID 138507623
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 86313694
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
3-cyclohexyl-1,3-thiazolidin-2-imine
CID 167458153
2-cyclohexyl-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79931975
1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64956962
2-[(1-cyclohexyl-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl)amino]acetic acid
CID 118177055
4-cyclopentyl-1,4-diazocan-5-one
CID 117015321
(1,3-dicyclohexylimidazolidin-2-ylidene)rhodium
CID 142675127

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-iminopyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-3-iminopyrrolidin-2-one (CID 6920742) is 1-cyclohexyl-3-iminopyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-iminopyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-iminopyrrolidin-2-one is [H]/N=C1\CCN(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-iminopyrrolidin-2-one?
The InChIKey is XTRFGFCTPRMTKQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H16N2O/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h8,11H,1-7H2/b11-9+.
What are the key properties of 1-cyclohexyl-3-iminopyrrolidin-2-one?
1-cyclohexyl-3-iminopyrrolidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-iminopyrrolidin-2-one is sourced from PubChem (CID 6920742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).