[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone

C16H27NO2 — CID 47014950

IUPAC[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC(C)=CC1C(C(=O)N2CC(C)OC(C)C2)C1(C)C
InChIInChI=1S/C16H27NO2/c1-10(2)7-13-14(16(13,5)6)15(18)17-8-11(3)19-12(4)9-17/h7,11-14H,8-9H2,1-6H3
InChIKeyHDQWRTQRNNEQDC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.86
Rot. Bonds2

About [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone

[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 47014950) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID47014950
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC(C)=CC1C(C(=O)N2CC(C)OC(C)C2)C1(C)C
InChIInChI=1S/C16H27NO2/c1-10(2)7-13-14(16(13,5)6)15(18)17-8-11(3)19-12(4)9-17/h7,11-14H,8-9H2,1-6H3
InChIKeyHDQWRTQRNNEQDC-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.86
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

4-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide
CID 49418648
6-(1-cyclopenten-1-ylcarbonyl)-1-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}-6-azaspiro[2.5]octane
CID 45211358
2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone
CID 45227699
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
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
2-Tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one
CID 69032903
(Z)-2,4,7,7,9-pentamethyl-1-morpholin-4-yldec-5-en-1-one
CID 129233324
(3-Ethyl-1-methylcyclopent-3-en-1-yl)-morpholin-4-ylmethanone
CID 134547148

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 47014950) is [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC(C)=CC1C(C(=O)N2CC(C)OC(C)C2)C1(C)C.
What is the InChIKey of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is HDQWRTQRNNEQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-10(2)7-13-14(16(13,5)6)15(18)17-8-11(3)19-12(4)9-17/h7,11-14H,8-9H2,1-6H3.
What are the key properties of [2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 265.40 g/mol, XLogP of 2.86, 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]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 47014950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).