2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile

C14H17N — CID 82076345

IUPAC2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
SMILESCCCC(C#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H17N/c1-2-4-14(10-15)13-8-7-11-5-3-6-12(11)9-13/h7-9,14H,2-6H2,1H3
InChIKeyRXPGQMYNRQCTQQ-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.58
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile

2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile (PubChem CID 82076345) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
PubChem CID82076345
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
SMILESCCCC(C#N)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H17N/c1-2-4-14(10-15)13-8-7-11-5-3-6-12(11)9-13/h7-9,14H,2-6H2,1H3
InChIKeyRXPGQMYNRQCTQQ-UHFFFAOYSA-N
XLogP3.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile
CID 116960523
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
CID 116955267
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
CID 82045624
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
CID 43108616
2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913794
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
CID 43207724
2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile
CID 116833439
3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
CID 116940358

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile (CID 82076345) is 2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile is CCCC(C#N)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile?
The InChIKey is RXPGQMYNRQCTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-4-14(10-15)13-8-7-11-5-3-6-12(11)9-13/h7-9,14H,2-6H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile?
2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile has a molecular weight of 199.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile is sourced from PubChem (CID 82076345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).