1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile

C14H17NO — CID 116837091

IUPAC1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
SMILESCCc1ccc(OC)c(CC2(C#N)CC2)c1
InChIInChI=1S/C14H17NO/c1-3-11-4-5-13(16-2)12(8-11)9-14(10-15)6-7-14/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyQWWSXTMBWYDSSI-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.10
Rot. Bonds4

About 1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile

1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile (PubChem CID 116837091) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
PubChem CID116837091
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
SMILESCCc1ccc(OC)c(CC2(C#N)CC2)c1
InChIInChI=1S/C14H17NO/c1-3-11-4-5-13(16-2)12(8-11)9-14(10-15)6-7-14/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyQWWSXTMBWYDSSI-UHFFFAOYSA-N
XLogP3.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-ethyl-2-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116929960
1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242493
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
CID 95448950
1-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390367
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847
3-[(2-methoxy-5-methylphenyl)methyl]oxetane-3-carbonitrile
CID 116929919
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
2-[(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116931688
3-[(5-bromo-2-methoxyphenyl)methyl]oxetane-3-carbonitrile
CID 116929943
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile
CID 115131364
2-(5-ethyl-2-methoxyphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116842005

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile (CID 116837091) is 1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile is CCc1ccc(OC)c(CC2(C#N)CC2)c1.
What is the InChIKey of 1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is QWWSXTMBWYDSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-11-4-5-13(16-2)12(8-11)9-14(10-15)6-7-14/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile?
1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116837091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).