3-(3-aminopropyl)-1H-indole-4-carbonitrile

C12H13N3 — CID 57214331

IUPAC3-(3-aminopropyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(CCCN)c12
InChIInChI=1S/C12H13N3/c13-6-2-4-10-8-15-11-5-1-3-9(7-14)12(10)11/h1,3,5,8,15H,2,4,6,13H2
InChIKeyIPIGRMFBVUFIKL-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.93
Rot. Bonds3

About 3-(3-aminopropyl)-1H-indole-4-carbonitrile

3-(3-aminopropyl)-1H-indole-4-carbonitrile (PubChem CID 57214331) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name3-(3-aminopropyl)-1H-indole-4-carbonitrile
PubChem CID57214331
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-(3-aminopropyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(CCCN)c12
InChIInChI=1S/C12H13N3/c13-6-2-4-10-8-15-11-5-1-3-9(7-14)12(10)11/h1,3,5,8,15H,2,4,6,13H2
InChIKeyIPIGRMFBVUFIKL-UHFFFAOYSA-N
XLogP1.93
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1H-indole-4-carbonitrile?
The IUPAC name of 3-(3-aminopropyl)-1H-indole-4-carbonitrile (CID 57214331) is 3-(3-aminopropyl)-1H-indole-4-carbonitrile.
What is the SMILES notation for 3-(3-aminopropyl)-1H-indole-4-carbonitrile?
The canonical SMILES for 3-(3-aminopropyl)-1H-indole-4-carbonitrile is N#Cc1cccc2[nH]cc(CCCN)c12.
What is the InChIKey of 3-(3-aminopropyl)-1H-indole-4-carbonitrile?
The InChIKey is IPIGRMFBVUFIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-6-2-4-10-8-15-11-5-1-3-9(7-14)12(10)11/h1,3,5,8,15H,2,4,6,13H2.
What are the key properties of 3-(3-aminopropyl)-1H-indole-4-carbonitrile?
3-(3-aminopropyl)-1H-indole-4-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1H-indole-4-carbonitrile is sourced from PubChem (CID 57214331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).