3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile

C13H15NO — CID 175729678

IUPAC3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile
SMILESCC(CC#N)OC1Cc2ccccc2C1
InChIInChI=1S/C13H15NO/c1-10(6-7-14)15-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13H,6,8-9H2,1H3
InChIKeySDLZPZNDFNUBSJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.47
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile

3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile (PubChem CID 175729678) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile
PubChem CID175729678
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile
SMILESCC(CC#N)OC1Cc2ccccc2C1
InChIInChI=1S/C13H15NO/c1-10(6-7-14)15-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13H,6,8-9H2,1H3
InChIKeySDLZPZNDFNUBSJ-UHFFFAOYSA-N
XLogP2.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile
CID 103830749
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703438
3-(thiophen-2-ylmethoxy)butanenitrile
CID 114995813
(3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63224845
2-propoxy-2,3-dihydro-1H-indene
CID 12009073
2,3-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 23532958
O-(2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 68506766
2-[4-bromo-3-(2,3-dihydro-1H-inden-2-yloxymethyl)phenyl]acetonitrile
CID 169291948
2,3-dihydro-1H-inden-2-yloxy(triethyl)silane
CID 139809748
2-(2,3-dihydro-1H-inden-2-yloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 129070339
3-[(1-methylpiperidin-4-yl)methylamino]-3-phenylpropanenitrile
CID 55117440
3-cyclobutyloxybutylbenzene
CID 177473923

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile (CID 175729678) is 3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile is CC(CC#N)OC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile?
The InChIKey is SDLZPZNDFNUBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(6-7-14)15-13-8-11-4-2-3-5-12(11)9-13/h2-5,10,13H,6,8-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile?
3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile has a molecular weight of 201.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yloxy)butanenitrile is sourced from PubChem (CID 175729678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).