3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile

C17H20N2O — CID 62036641

IUPAC3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile
SMILESN#CCCN(CC(=O)c1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C17H20N2O/c18-9-2-10-19(16-7-8-16)12-17(20)15-6-5-13-3-1-4-14(13)11-15/h5-6,11,16H,1-4,7-8,10,12H2
InChIKeyIBPJULBQGNEFQB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.74
Rot. Bonds6

About 3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile

3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile (PubChem CID 62036641) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile
PubChem CID62036641
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile
SMILESN#CCCN(CC(=O)c1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C17H20N2O/c18-9-2-10-19(16-7-8-16)12-17(20)15-6-5-13-3-1-4-14(13)11-15/h5-6,11,16H,1-4,7-8,10,12H2
InChIKeyIBPJULBQGNEFQB-UHFFFAOYSA-N
XLogP2.74
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64522384
2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43796359
2-[cyanomethyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]acetonitrile
CID 60680530
N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56784305
3-[cyclopropyl-[2-(2,4-dichlorophenyl)-2-oxoethyl]amino]propanenitrile
CID 62036058
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 60699391
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680971
3-[methyl-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanoic acid
CID 82136249
2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide
CID 54982622
N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 167925608
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 64521389

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile (CID 62036641) is 3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile is N#CCCN(CC(=O)c1ccc2c(c1)CCC2)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile?
The InChIKey is IBPJULBQGNEFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-9-2-10-19(16-7-8-16)12-17(20)15-6-5-13-3-1-4-14(13)11-15/h5-6,11,16H,1-4,7-8,10,12H2.
What are the key properties of 3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile?
3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile has a molecular weight of 268.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile is sourced from PubChem (CID 62036641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).