2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane

C11H19NO2 — CID 170581782

IUPAC2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.N#CC(C=O)C1CC1
InChIInChI=1S/C6H7NO.C5H12O/c7-3-6(4-8)5-1-2-5;1-5(2,3)6-4/h4-6H,1-2H2;1-4H3
InChIKeyZFHZLCKOVVFRCE-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.17
Rot. Bonds2

About 2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane

2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane (PubChem CID 170581782) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane
PubChem CID170581782
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.N#CC(C=O)C1CC1
InChIInChI=1S/C6H7NO.C5H12O/c7-3-6(4-8)5-1-2-5;1-5(2,3)6-4/h4-6H,1-2H2;1-4H3
InChIKeyZFHZLCKOVVFRCE-UHFFFAOYSA-N
XLogP2.17
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylcyclobutyl)-3-oxopropanenitrile
CID 122599916
tert-butyl 3-(1-cyano-2-oxoethyl)piperidine-1-carboxylate
CID 91132980
2-methoxy-2-methylpropane;hydrate
CID 23212559
(2R)-2-cyclopropyl-2-methoxyacetaldehyde
CID 124547234
potassium;acetonitrile;2-methoxy-2-methylpropane;hydroxide;hydrate
CID 175019330
(2S)-2-cyclopropyl-2-methylsulfonylacetonitrile
CID 125471864
2-cyclopropyl-2-methylsulfonylacetonitrile
CID 118553327
2-methoxy-3-oxopropanenitrile
CID 173463355
(2S)-2-cyclopropylpropanal
CID 59475987
2-(4-methoxycyclohexyl)propanal
CID 173023643
(2R)-2-cyclopropyl-2-methoxypropanal
CID 124706187
(1-cyclopropyl-2,2-dimethylpropyl)cyclopropane
CID 57231071

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane?
The IUPAC name of 2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane (CID 170581782) is 2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane.
What is the SMILES notation for 2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane?
The canonical SMILES for 2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane is COC(C)(C)C.N#CC(C=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane?
The InChIKey is ZFHZLCKOVVFRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C5H12O/c7-3-6(4-8)5-1-2-5;1-5(2,3)6-4/h4-6H,1-2H2;1-4H3.
What are the key properties of 2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane?
2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane has a molecular weight of 197.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-oxopropanenitrile;2-methoxy-2-methylpropane is sourced from PubChem (CID 170581782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).