[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone

C15H25NO2 — CID 95380643

IUPAC[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
SMILESCC(C)C[C@H]1COCCN1C(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C15H25NO2/c1-12(2)10-14-11-18-9-8-16(14)15(17)13-6-4-3-5-7-13/h3-4,12-14H,5-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyXJBCEXVWUMKXMK-KGLIPLIRSA-N
MW251.37 g/mol
LogP2.62
Rot. Bonds3

About [(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone

[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone (PubChem CID 95380643) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
PubChem CID95380643
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
SMILESCC(C)C[C@H]1COCCN1C(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C15H25NO2/c1-12(2)10-14-11-18-9-8-16(14)15(17)13-6-4-3-5-7-13/h3-4,12-14H,5-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyXJBCEXVWUMKXMK-KGLIPLIRSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
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 [(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone (CID 95380643) is [(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone is CC(C)C[C@H]1COCCN1C(=O)[C@@H]1CC=CCC1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone?
The InChIKey is XJBCEXVWUMKXMK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)10-14-11-18-9-8-16(14)15(17)13-6-4-3-5-7-13/h3-4,12-14H,5-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone?
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone has a molecular weight of 251.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95380643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).