N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide

C10H17NO2 — CID 97180814

IUPACN-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NC[C@H]1CO1)C1CCCCC1
InChIInChI=1S/C10H17NO2/c12-10(11-6-9-7-13-9)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,11,12)/t9-/m0/s1
InChIKeyPMWLEFFXYZZTMP-VIFPVBQESA-N
MW183.25 g/mol
LogP1.08
Rot. Bonds3

About N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide

N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 97180814) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
PubChem CID97180814
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NC[C@H]1CO1)C1CCCCC1
InChIInChI=1S/C10H17NO2/c12-10(11-6-9-7-13-9)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,11,12)/t9-/m0/s1
InChIKeyPMWLEFFXYZZTMP-VIFPVBQESA-N
XLogP1.08
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474688
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
(2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid
CID 154767053
1-cyclohexyl-3-(oxiran-2-ylmethyl)urea
CID 102548390
4-N-cyclohexyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146083
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide
CID 2908132
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630274
N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 16582894
N,N'-bis(oxiran-2-ylmethyl)butanediamide
CID 175178142

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide (CID 97180814) is N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide is O=C(NC[C@H]1CO1)C1CCCCC1.
What is the InChIKey of N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is PMWLEFFXYZZTMP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(11-6-9-7-13-9)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,11,12)/t9-/m0/s1.
What are the key properties of N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide?
N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 183.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 97180814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).