2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile

C14H14N2 — CID 116841846

IUPAC2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile
SMILESCn1cc(C2(C)CC2C#N)c2ccccc21
InChIInChI=1S/C14H14N2/c1-14(7-10(14)8-15)12-9-16(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7H2,1-2H3
InChIKeyOGVXXUGMSFQTAN-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.98
Rot. Bonds1

About 2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile

2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile (PubChem CID 116841846) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile
PubChem CID116841846
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile
SMILESCn1cc(C2(C)CC2C#N)c2ccccc21
InChIInChI=1S/C14H14N2/c1-14(7-10(14)8-15)12-9-16(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7H2,1-2H3
InChIKeyOGVXXUGMSFQTAN-UHFFFAOYSA-N
XLogP2.98
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile (CID 116841846) is 2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile is Cn1cc(C2(C)CC2C#N)c2ccccc21.
What is the InChIKey of 2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile?
The InChIKey is OGVXXUGMSFQTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-14(7-10(14)8-15)12-9-16(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7H2,1-2H3.
What are the key properties of 2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile?
2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116841846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).