1-cyclopropylindole-4-carbonitrile

C12H10N2 — CID 115016174

IUPAC1-cyclopropylindole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2C1CC1
InChIInChI=1S/C12H10N2/c13-8-9-2-1-3-12-11(9)6-7-14(12)10-4-5-10/h1-3,6-7,10H,4-5H2
InChIKeyXCSXZKJXZOQQRP-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.85
Rot. Bonds1

About 1-cyclopropylindole-4-carbonitrile

1-cyclopropylindole-4-carbonitrile (PubChem CID 115016174) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-cyclopropylindole-4-carbonitrile.

Molecular Properties

Compound Name1-cyclopropylindole-4-carbonitrile
PubChem CID115016174
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-cyclopropylindole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2C1CC1
InChIInChI=1S/C12H10N2/c13-8-9-2-1-3-12-11(9)6-7-14(12)10-4-5-10/h1-3,6-7,10H,4-5H2
InChIKeyXCSXZKJXZOQQRP-UHFFFAOYSA-N
XLogP2.85
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylindole-4-carbonitrile?
The IUPAC name of 1-cyclopropylindole-4-carbonitrile (CID 115016174) is 1-cyclopropylindole-4-carbonitrile.
What is the SMILES notation for 1-cyclopropylindole-4-carbonitrile?
The canonical SMILES for 1-cyclopropylindole-4-carbonitrile is N#Cc1cccc2c1ccn2C1CC1.
What is the InChIKey of 1-cyclopropylindole-4-carbonitrile?
The InChIKey is XCSXZKJXZOQQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c13-8-9-2-1-3-12-11(9)6-7-14(12)10-4-5-10/h1-3,6-7,10H,4-5H2.
What are the key properties of 1-cyclopropylindole-4-carbonitrile?
1-cyclopropylindole-4-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylindole-4-carbonitrile is sourced from PubChem (CID 115016174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).