(2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide

C14H24N2O2 — CID 99819343

IUPAC(2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide
SMILESCCC[C@H]1CN(C(=O)N[C@H]2CC=CCC2)CCO1
InChIInChI=1S/C14H24N2O2/c1-2-6-13-11-16(9-10-18-13)14(17)15-12-7-4-3-5-8-12/h3-4,12-13H,2,5-11H2,1H3,(H,15,17)/t12-,13-/m0/s1
InChIKeyQUOYPXJBHUKRKQ-STQMWFEESA-N
MW252.36 g/mol
LogP2.31
Rot. Bonds3

About (2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide

(2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide (PubChem CID 99819343) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide
PubChem CID99819343
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide
SMILESCCC[C@H]1CN(C(=O)N[C@H]2CC=CCC2)CCO1
InChIInChI=1S/C14H24N2O2/c1-2-6-13-11-16(9-10-18-13)14(17)15-12-7-4-3-5-8-12/h3-4,12-13H,2,5-11H2,1H3,(H,15,17)/t12-,13-/m0/s1
InChIKeyQUOYPXJBHUKRKQ-STQMWFEESA-N
XLogP2.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.31
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)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide (CID 99819343) is (2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide is CCC[C@H]1CN(C(=O)N[C@H]2CC=CCC2)CCO1.
What is the InChIKey of (2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide?
The InChIKey is QUOYPXJBHUKRKQ-STQMWFEESA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-6-13-11-16(9-10-18-13)14(17)15-12-7-4-3-5-8-12/h3-4,12-13H,2,5-11H2,1H3,(H,15,17)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide?
(2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide is sourced from PubChem (CID 99819343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).