2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile

C11H11NO — CID 117277009

IUPAC2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile
SMILESN#CCc1ccc2c(c1O)CCC2
InChIInChI=1S/C11H11NO/c12-7-6-9-5-4-8-2-1-3-10(8)11(9)13/h4-5,13H,1-3,6H2
InChIKeyLTHOTNZFRVSYHR-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.95
Rot. Bonds1

About 2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile

2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile (PubChem CID 117277009) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile
PubChem CID117277009
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile
SMILESN#CCc1ccc2c(c1O)CCC2
InChIInChI=1S/C11H11NO/c12-7-6-9-5-4-8-2-1-3-10(8)11(9)13/h4-5,13H,1-3,6H2
InChIKeyLTHOTNZFRVSYHR-UHFFFAOYSA-N
XLogP1.95
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117282549
2-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)acetonitrile
CID 84792249
2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117294086
1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 117277012
5-(2-piperazin-1-ylethyl)-2,3-dihydro-1H-inden-4-ol
CID 117368753
5-iodo-2,3-dihydro-1H-inden-4-ol
CID 23031206
2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile
CID 84770381
3-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropanoic acid
CID 117340695
2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile
CID 117276124
2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
CID 22252946
2-(2-bromo-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)acetonitrile
CID 84811733
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetonitrile
CID 12562356

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile?
The IUPAC name of 2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile (CID 117277009) is 2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile.
What is the SMILES notation for 2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile?
The canonical SMILES for 2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile is N#CCc1ccc2c(c1O)CCC2.
What is the InChIKey of 2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile?
The InChIKey is LTHOTNZFRVSYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c12-7-6-9-5-4-8-2-1-3-10(8)11(9)13/h4-5,13H,1-3,6H2.
What are the key properties of 2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile?
2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile has a molecular weight of 173.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile is sourced from PubChem (CID 117277009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).