2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile

C14H17NO3 — CID 116841871

IUPAC2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
SMILESCOc1cc(OC)c(C2(C)CC2C#N)c(OC)c1
InChIInChI=1S/C14H17NO3/c1-14(7-9(14)8-15)13-11(17-3)5-10(16-2)6-12(13)18-4/h5-6,9H,7H2,1-4H3
InChIKeyRBUPMQNDWJCCTC-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile

2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 116841871) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
PubChem CID116841871
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
SMILESCOc1cc(OC)c(C2(C)CC2C#N)c(OC)c1
InChIInChI=1S/C14H17NO3/c1-14(7-9(14)8-15)13-11(17-3)5-10(16-2)6-12(13)18-4/h5-6,9H,7H2,1-4H3
InChIKeyRBUPMQNDWJCCTC-UHFFFAOYSA-N
XLogP2.51
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
CID 83713796
2-(3-ethyl-4-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
CID 116841836
2-(4-tert-butyl-2,6-dimethylphenyl)-2-methylcyclopropane-1-carbonitrile
CID 116841857
(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837577
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile
CID 84787805
4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
CID 66229916
1-(2,4,6-trimethoxybenzoyl)cyclopropane-1-carbonitrile
CID 116920867
methyl (4R,5R,8S)-4-cyano-6-oxo-3-(2,4,6-trimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene-8-carboxylate
CID 10971164
1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
CID 84809508
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
1,3,5-trimethoxy-2-[2-(2,4,6-trimethoxyphenyl)ethynyl]benzene
CID 4255842
5,7-dimethoxy-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthrene
CID 72766088

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile (CID 116841871) is 2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile is COc1cc(OC)c(C2(C)CC2C#N)c(OC)c1.
What is the InChIKey of 2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is RBUPMQNDWJCCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(7-9(14)8-15)13-11(17-3)5-10(16-2)6-12(13)18-4/h5-6,9H,7H2,1-4H3.
What are the key properties of 2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile?
2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 247.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116841871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).