2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile

C18H23NO — CID 144584283

IUPAC2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCC(C)CC(C)CC1Cc2ccc(C#N)cc2C1C=O
InChIInChI=1S/C18H23NO/c1-12(2)6-13(3)7-16-9-15-5-4-14(10-19)8-17(15)18(16)11-20/h4-5,8,11-13,16,18H,6-7,9H2,1-3H3
InChIKeySIDOVGFKMYWHBP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.09
Rot. Bonds5

About 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile

2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 144584283) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID144584283
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCC(C)CC(C)CC1Cc2ccc(C#N)cc2C1C=O
InChIInChI=1S/C18H23NO/c1-12(2)6-13(3)7-16-9-15-5-4-14(10-19)8-17(15)18(16)11-20/h4-5,8,11-13,16,18H,6-7,9H2,1-3H3
InChIKeySIDOVGFKMYWHBP-UHFFFAOYSA-N
XLogP4.09
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

difluoromethanol;ethyl 2-[(2S)-6-cyano-2-(2,4-dimethylpentyl)-2,3-dihydro-1H-inden-1-yl]acetate
CID 144584245
(2S,3S)-2-formyl-2,3-dimethyl-1,3-dihydroindene-5-carbonitrile
CID 143493984
(2S,3S)-3-(4-cyanophenyl)-2-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 71187619
7-cyano-1-(2-methylpropyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid
CID 68735358
3-methyl-2,3-dihydro-1H-isoindole-5-carbonitrile
CID 83980258
3-formyl-4-(2-methylpropoxy)benzonitrile
CID 66553606
4-ethyl-3,4-dihydro-2H-chromene-6-carbonitrile
CID 67574974
3-hydroxy-2,2-dimethyl-1,3-dihydroindene-5-carbonitrile
CID 67081826
3-(2,6-dimethylheptan-4-ylamino)-4-methylbenzonitrile
CID 63477609
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735
tert-butyl (NE)-N-[amino-[[6-amino-2-(2,4-dimethylpentyl)-2,3-dihydro-1H-indene-1-carbonyl]-(2-fluoro-2-methylpropyl)amino]methylidene]carbamate
CID 144584302
4-piperidin-1-yl-3-propan-2-ylbenzonitrile
CID 84692083

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile (CID 144584283) is 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile is CC(C)CC(C)CC1Cc2ccc(C#N)cc2C1C=O.
What is the InChIKey of 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is SIDOVGFKMYWHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12(2)6-13(3)7-16-9-15-5-4-14(10-19)8-17(15)18(16)11-20/h4-5,8,11-13,16,18H,6-7,9H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile?
2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 269.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentyl)-3-formyl-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 144584283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).