2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile

C16H15NO2 — CID 79136293

IUPAC2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESCc1ccc(C(O)C2(C#N)Cc3ccccc3C2)o1
InChIInChI=1S/C16H15NO2/c1-11-6-7-14(19-11)15(18)16(10-17)8-12-4-2-3-5-13(12)9-16/h2-7,15,18H,8-9H2,1H3
InChIKeyKTNCEWKIILFQIN-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.93
Rot. Bonds2

About 2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile

2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile (PubChem CID 79136293) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile
PubChem CID79136293
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESCc1ccc(C(O)C2(C#N)Cc3ccccc3C2)o1
InChIInChI=1S/C16H15NO2/c1-11-6-7-14(19-11)15(18)16(10-17)8-12-4-2-3-5-13(12)9-16/h2-7,15,18H,8-9H2,1H3
InChIKeyKTNCEWKIILFQIN-UHFFFAOYSA-N
XLogP2.93
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[hydroxy-(5-methylfuran-2-yl)methyl]-2,4-dihydrochromene-3-carbonitrile
CID 79136294
1-[hydroxy-(5-methylfuran-2-yl)methyl]-2,3-dihydroindene-1-carbonitrile
CID 79137373
1-[hydroxy-(5-methylfuran-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 79137005
4-ethyl-1-[hydroxy-(5-methylfuran-2-yl)methyl]cyclohexane-1-carbonitrile
CID 79137460
2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 115530002
3-ethyl-1-[hydroxy-(5-methylfuran-2-yl)methyl]cyclopentane-1-carbonitrile
CID 79136468
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(5-methylfuran-2-yl)methanol
CID 79135340
2-(2-cyano-1,3-dihydroinden-2-yl)-2-hydroxyacetic acid
CID 79127328
2-[hydroxy-(6-methoxy-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 103348696
2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile
CID 79133045
2-[hydroxy(pyridin-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 79136304
2-[(3-cyclopropylimidazol-4-yl)-hydroxymethyl]-1,3-dihydroindene-2-carbonitrile
CID 79124743

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile (CID 79136293) is 2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile is Cc1ccc(C(O)C2(C#N)Cc3ccccc3C2)o1.
What is the InChIKey of 2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
The InChIKey is KTNCEWKIILFQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-6-7-14(19-11)15(18)16(10-17)8-12-4-2-3-5-13(12)9-16/h2-7,15,18H,8-9H2,1H3.
What are the key properties of 2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(5-methylfuran-2-yl)methyl]-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 79136293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).