(2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide

C11H19NO2 — CID 166779998

IUPAC(2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide
SMILESC[C@@]1(C(=O)NCC2CCCCC2)CO1
InChIInChI=1S/C11H19NO2/c1-11(8-14-11)10(13)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13)/t11-/m0/s1
InChIKeyDSKXKPHAUCNEEZ-NSHDSACASA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds3

About (2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide

(2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide (PubChem CID 166779998) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide
PubChem CID166779998
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide
SMILESC[C@@]1(C(=O)NCC2CCCCC2)CO1
InChIInChI=1S/C11H19NO2/c1-11(8-14-11)10(13)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13)/t11-/m0/s1
InChIKeyDSKXKPHAUCNEEZ-NSHDSACASA-N
XLogP1.47
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide (CID 166779998) is (2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide is C[C@@]1(C(=O)NCC2CCCCC2)CO1.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide?
The InChIKey is DSKXKPHAUCNEEZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(8-14-11)10(13)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13)/t11-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide?
(2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide is sourced from PubChem (CID 166779998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).