(2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide

C10H18N2O2 — CID 70395377

IUPAC(2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H18N2O2/c1-4-5-11-10(13)12-6-8(2)14-9(3)7-12/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)/t8-,9+
InChIKeyPKKNRBAMGVROBD-DTORHVGOSA-N
MW198.27 g/mol
LogP0.99
Rot. Bonds2

About (2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide

(2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide (PubChem CID 70395377) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide
PubChem CID70395377
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H18N2O2/c1-4-5-11-10(13)12-6-8(2)14-9(3)7-12/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)/t8-,9+
InChIKeyPKKNRBAMGVROBD-DTORHVGOSA-N
XLogP0.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide (CID 70395377) is (2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide is C=CCNC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide?
The InChIKey is PKKNRBAMGVROBD-DTORHVGOSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-11-10(13)12-6-8(2)14-9(3)7-12/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)/t8-,9+.
What are the key properties of (2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide?
(2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide is sourced from PubChem (CID 70395377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).