ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile

C13H17N — CID 142588105

IUPACethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCC.Cc1ccc(C#N)c2c1CCC2
InChIInChI=1S/C11H11N.C2H6/c1-8-5-6-9(7-12)11-4-2-3-10(8)11;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyATQWQHBAYXLEKO-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.38
Rot. Bonds

About ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile

ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile (PubChem CID 142588105) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile.

Molecular Properties

Compound Nameethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile
PubChem CID142588105
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Nameethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile
SMILESCC.Cc1ccc(C#N)c2c1CCC2
InChIInChI=1S/C11H11N.C2H6/c1-8-5-6-9(7-12)11-4-2-3-10(8)11;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyATQWQHBAYXLEKO-UHFFFAOYSA-N
XLogP3.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile
CID 96597680
2,3-dichloro-4-methylbenzonitrile
CID 67913436
4-methyl-7-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2,3-dihydro-1H-indene
CID 57157159
2-(bromomethyl)-3,4-dimethylbenzonitrile
CID 171013334
2-chloro-3-methoxy-4-methylbenzonitrile
CID 117278975
3-fluoro-2-hydroxy-4-methylbenzonitrile
CID 117275995
(7-methyl-2,3-dihydro-1H-inden-4-yl)methanol
CID 117276140
4-nitro-5-oxo-7,8-dihydro-6H-naphthalene-1-carbonitrile
CID 19990792
2-iodo-4-methyl-3-sulfanylbenzonitrile
CID 171025898
4-methylbenzene-1,3-dicarbonitrile
CID 10080505
4-(azetidin-1-yl)-2-methylbenzonitrile
CID 126980528
2-methylbenzonitrile
CID 162098401

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile?
The IUPAC name of ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile (CID 142588105) is ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile.
What is the SMILES notation for ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile?
The canonical SMILES for ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile is CC.Cc1ccc(C#N)c2c1CCC2.
What is the InChIKey of ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile?
The InChIKey is ATQWQHBAYXLEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N.C2H6/c1-8-5-6-9(7-12)11-4-2-3-10(8)11;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile?
ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile has a molecular weight of 187.29 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2,3-dihydro-1H-indene-4-carbonitrile is sourced from PubChem (CID 142588105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).