1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide

C11H17NO3 — CID 176737760

IUPAC1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1([C@H]2COCC2=O)CCCCC1
InChIInChI=1S/C11H17NO3/c12-10(14)11(4-2-1-3-5-11)8-6-15-7-9(8)13/h8H,1-7H2,(H2,12,14)/t8-/m0/s1
InChIKeyLLUJFGVYHRPLHI-QMMMGPOBSA-N
MW211.26 g/mol
LogP0.64
Rot. Bonds2

About 1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide

1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide (PubChem CID 176737760) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide
PubChem CID176737760
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1([C@H]2COCC2=O)CCCCC1
InChIInChI=1S/C11H17NO3/c12-10(14)11(4-2-1-3-5-11)8-6-15-7-9(8)13/h8H,1-7H2,(H2,12,14)/t8-/m0/s1
InChIKeyLLUJFGVYHRPLHI-QMMMGPOBSA-N
XLogP0.64
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropylcyclohexane-1-carboxamide
CID 57435201
1-(2,6-dioxopiperidin-3-yl)cyclobutane-1-carboxamide
CID 176899722
2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxamide
CID 12962923
1-(3-methyloxiran-2-yl)cyclobutane-1-carboxamide
CID 163434471
(1-carbamoylcyclohexyl) 1,3-dioxane-5-carboxylate
CID 57135983
bicyclo[3.1.0]hexane-1-carboxamide
CID 55288730
1-(oxiran-2-yl)cyclohexane-1-carboxylic acid
CID 10511348
(1R,6S,7S)-3-oxatricyclo[5.4.0.01,6]undecan-5-one
CID 10725732
ethane;2-methyloxane-2-carboxamide
CID 171543445
1-(difluoromethyl)cyclohexane-1-carboxamide
CID 130645581
(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7367649
N-(4-oxooxolan-3-yl)acetamide
CID 123326403

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide (CID 176737760) is 1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide is NC(=O)C1([C@H]2COCC2=O)CCCCC1.
What is the InChIKey of 1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide?
The InChIKey is LLUJFGVYHRPLHI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17NO3/c12-10(14)11(4-2-1-3-5-11)8-6-15-7-9(8)13/h8H,1-7H2,(H2,12,14)/t8-/m0/s1.
What are the key properties of 1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide?
1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-4-oxooxolan-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 176737760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).