2-propan-2-yl-1H-indene-5-carbonitrile

C13H13N — CID 158604843

IUPAC2-propan-2-yl-1H-indene-5-carbonitrile
SMILESCC(C)C1=Cc2cc(C#N)ccc2C1
InChIInChI=1S/C13H13N/c1-9(2)12-6-11-4-3-10(8-14)5-13(11)7-12/h3-5,7,9H,6H2,1-2H3
InChIKeyHWBYFEONLJEBLC-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.15
Rot. Bonds1

About 2-propan-2-yl-1H-indene-5-carbonitrile

2-propan-2-yl-1H-indene-5-carbonitrile (PubChem CID 158604843) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-propan-2-yl-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name2-propan-2-yl-1H-indene-5-carbonitrile
PubChem CID158604843
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name2-propan-2-yl-1H-indene-5-carbonitrile
SMILESCC(C)C1=Cc2cc(C#N)ccc2C1
InChIInChI=1S/C13H13N/c1-9(2)12-6-11-4-3-10(8-14)5-13(11)7-12/h3-5,7,9H,6H2,1-2H3
InChIKeyHWBYFEONLJEBLC-UHFFFAOYSA-N
XLogP3.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[(1R)-1-aminoethyl]-4-hydroxybenzonitrile
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5-hydroxy-5-methyl-7,8-dihydro-6H-naphthalene-2-carbonitrile
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4-(2-methylpropoxy)-3-propan-2-ylbenzonitrile
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4-fluoro-3-(1-propan-2-ylcyclopropyl)benzonitrile
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3-[1-(2,6-dihydroxyphenyl)ethylamino]-4-methylbenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-indene-5-carbonitrile?
The IUPAC name of 2-propan-2-yl-1H-indene-5-carbonitrile (CID 158604843) is 2-propan-2-yl-1H-indene-5-carbonitrile.
What is the SMILES notation for 2-propan-2-yl-1H-indene-5-carbonitrile?
The canonical SMILES for 2-propan-2-yl-1H-indene-5-carbonitrile is CC(C)C1=Cc2cc(C#N)ccc2C1.
What is the InChIKey of 2-propan-2-yl-1H-indene-5-carbonitrile?
The InChIKey is HWBYFEONLJEBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-9(2)12-6-11-4-3-10(8-14)5-13(11)7-12/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-1H-indene-5-carbonitrile?
2-propan-2-yl-1H-indene-5-carbonitrile has a molecular weight of 183.25 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-indene-5-carbonitrile is sourced from PubChem (CID 158604843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).