2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile

C16H18N2 — CID 10752435

IUPAC2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile
SMILESCn1cc(C2(CC#N)CCCC2)c2ccccc21
InChIInChI=1S/C16H18N2/c1-18-12-14(13-6-2-3-7-15(13)18)16(10-11-17)8-4-5-9-16/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyGPJDAHHAHFQLOZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.90
Rot. Bonds2

About 2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile

2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile (PubChem CID 10752435) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile
PubChem CID10752435
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile
SMILESCn1cc(C2(CC#N)CCCC2)c2ccccc21
InChIInChI=1S/C16H18N2/c1-18-12-14(13-6-2-3-7-15(13)18)16(10-11-17)8-4-5-9-16/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyGPJDAHHAHFQLOZ-UHFFFAOYSA-N
XLogP3.90
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
1-methyl-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 154503524
2-methyl-2-(1-methylindol-3-yl)cyclopropane-1-carbonitrile
CID 116841846
1-methyl-3-(2-methyloxiran-2-yl)indole
CID 82468567
1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 3072916
2-[3-(1-methylindol-3-yl)oxetan-3-yl]ethanethiol
CID 116872556
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113084974
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine
CID 116869840
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-one
CID 116873826
2-[1-(1-methylindol-3-yl)cyclopropyl]propan-2-amine
CID 83673846
1-(2,4-difluorophenyl)-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 54003214
3-methyl-2-[3-(1-methylindol-3-yl)oxetan-3-yl]butanenitrile
CID 116875563

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile?
The IUPAC name of 2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile (CID 10752435) is 2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile.
What is the SMILES notation for 2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile?
The canonical SMILES for 2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile is Cn1cc(C2(CC#N)CCCC2)c2ccccc21.
What is the InChIKey of 2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile?
The InChIKey is GPJDAHHAHFQLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-18-12-14(13-6-2-3-7-15(13)18)16(10-11-17)8-4-5-9-16/h2-3,6-7,12H,4-5,8-10H2,1H3.
What are the key properties of 2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile?
2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile has a molecular weight of 238.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile is sourced from PubChem (CID 10752435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).