3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile

C15H18N2O — CID 62094944

IUPAC3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile
SMILESCCC(CC#N)C(=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C15H18N2O/c1-3-11(6-8-16)15(18)13-4-5-14-12(10-13)7-9-17(14)2/h4-5,10-11H,3,6-7,9H2,1-2H3
InChIKeyDECSHHIOZZSVRP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.80
Rot. Bonds4

About 3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile

3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile (PubChem CID 62094944) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile.

Molecular Properties

Compound Name3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile
PubChem CID62094944
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile
SMILESCCC(CC#N)C(=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C15H18N2O/c1-3-11(6-8-16)15(18)13-4-5-14-12(10-13)7-9-17(14)2/h4-5,10-11H,3,6-7,9H2,1-2H3
InChIKeyDECSHHIOZZSVRP-UHFFFAOYSA-N
XLogP2.80
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
1-[5-(2-bromobutanoyl)-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82258729
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-nitropropan-1-one
CID 151369049
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one
CID 116923890
(1-methyl-2,3-dihydroindol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110485510
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
N-(2-hydroxyethyl)-N,1-dimethyl-2,3-dihydroindole-5-carboxamide
CID 110485469

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile?
The IUPAC name of 3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile (CID 62094944) is 3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile.
What is the SMILES notation for 3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile?
The canonical SMILES for 3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile is CCC(CC#N)C(=O)c1ccc2c(c1)CCN2C.
What is the InChIKey of 3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile?
The InChIKey is DECSHHIOZZSVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-11(6-8-16)15(18)13-4-5-14-12(10-13)7-9-17(14)2/h4-5,10-11H,3,6-7,9H2,1-2H3.
What are the key properties of 3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile?
3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile has a molecular weight of 242.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2,3-dihydroindole-5-carbonyl)pentanenitrile is sourced from PubChem (CID 62094944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).