1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile

C13H14N2 — CID 116997148

IUPAC1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile
SMILESCN1CCc2cc(C3(C#N)CC3)ccc21
InChIInChI=1S/C13H14N2/c1-15-7-4-10-8-11(2-3-12(10)15)13(9-14)5-6-13/h2-3,8H,4-7H2,1H3
InChIKeyUVVTWJIAIBJOED-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.23
Rot. Bonds1

About 1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile

1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile (PubChem CID 116997148) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile
PubChem CID116997148
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile
SMILESCN1CCc2cc(C3(C#N)CC3)ccc21
InChIInChI=1S/C13H14N2/c1-15-7-4-10-8-11(2-3-12(10)15)13(9-14)5-6-13/h2-3,8H,4-7H2,1H3
InChIKeyUVVTWJIAIBJOED-UHFFFAOYSA-N
XLogP2.23
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile (CID 116997148) is 1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile is CN1CCc2cc(C3(C#N)CC3)ccc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile?
The InChIKey is UVVTWJIAIBJOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-15-7-4-10-8-11(2-3-12(10)15)13(9-14)5-6-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile?
1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile has a molecular weight of 198.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydroindol-5-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116997148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).