4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile

C20H19NO — CID 13059695

IUPAC4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCc1cc(C)c(C(=O)c2cccc3c2CCC3C#N)c(C)c1
InChIInChI=1S/C20H19NO/c1-12-9-13(2)19(14(3)10-12)20(22)18-6-4-5-16-15(11-21)7-8-17(16)18/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyHWVCTNHEBRZRTG-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.40
Rot. Bonds2

About 4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile

4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile (PubChem CID 13059695) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile.

Molecular Properties

Compound Name4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile
PubChem CID13059695
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCc1cc(C)c(C(=O)c2cccc3c2CCC3C#N)c(C)c1
InChIInChI=1S/C20H19NO/c1-12-9-13(2)19(14(3)10-12)20(22)18-6-4-5-16-15(11-21)7-8-17(16)18/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyHWVCTNHEBRZRTG-UHFFFAOYSA-N
XLogP4.40
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-4-yl-(4-methylphenyl)methanone;4-(4-methylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile
CID 162020945
4-(4-bromobenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile
CID 13059694
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 172735368
(1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone
CID 67613124
5-chloro-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
CID 134106267
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
CID 146418297
lithium;hydride;(2-phosphanylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 173243819
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573
N-cyclohexyl-4-(2,4,6-trimethylbenzoyl)benzamide
CID 793898
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile?
The IUPAC name of 4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile (CID 13059695) is 4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile.
What is the SMILES notation for 4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile?
The canonical SMILES for 4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile is Cc1cc(C)c(C(=O)c2cccc3c2CCC3C#N)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile?
The InChIKey is HWVCTNHEBRZRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-12-9-13(2)19(14(3)10-12)20(22)18-6-4-5-16-15(11-21)7-8-17(16)18/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of 4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile?
4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylbenzoyl)-2,3-dihydro-1H-indene-1-carbonitrile is sourced from PubChem (CID 13059695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).