[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone

C14H23NO2 — CID 42924029

IUPAC[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone
SMILESCC(C)=CC1C(C(=O)N2CCOCC2)C1(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)9-11-12(14(11,3)4)13(16)15-5-7-17-8-6-15/h9,11-12H,5-8H2,1-4H3
InChIKeyFJDXJAHTZJBLRC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.08
Rot. Bonds2

About [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone

[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone (PubChem CID 42924029) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone
PubChem CID42924029
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone
SMILESCC(C)=CC1C(C(=O)N2CCOCC2)C1(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)9-11-12(14(11,3)4)13(16)15-5-7-17-8-6-15/h9,11-12H,5-8H2,1-4H3
InChIKeyFJDXJAHTZJBLRC-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohex-3-en-1-yl(morpholino)methanone
CID 12760863
4-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide
CID 49418648
4-{[3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}morpholine
CID 3321182
2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47016936
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
CID 47016973
4-[6-Methyl-3-cyclohexenecarboxyl]morpholine
CID 610576
(6E,10E)-3,7,11,15-tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one
CID 6917729
(2R)-2-[(1R)-1-methylcyclohex-2-en-1-yl]-1-morpholin-4-ylpropan-1-one
CID 10999025
2-(1-Methylcyclohex-2-en-1-yl)-1-morpholin-4-ylpropan-1-one
CID 18710609
4-[(E)-3,7,11-trimethyl-6,10-dodecadienoyl]-morpholine
CID 20220947
3,7,11,15-Tetramethyl-1-morpholin-4-ylhexadeca-6,10,14-trien-1-one
CID 53426225
3,7,11-Trimethyl-1-morpholin-4-yldodeca-6,10-dien-1-one
CID 53643106

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone?
The IUPAC name of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone (CID 42924029) is [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone is CC(C)=CC1C(C(=O)N2CCOCC2)C1(C)C.
What is the InChIKey of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone?
The InChIKey is FJDXJAHTZJBLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)9-11-12(14(11,3)4)13(16)15-5-7-17-8-6-15/h9,11-12H,5-8H2,1-4H3.
What are the key properties of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone?
[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone has a molecular weight of 237.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42924029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).