2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile

C11H10N2O2 — CID 10976543

IUPAC2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile
SMILESCOc1ccc2c(c1)C(CC#N)C(=O)N2
InChIInChI=1S/C11H10N2O2/c1-15-7-2-3-10-9(6-7)8(4-5-12)11(14)13-10/h2-3,6,8H,4H2,1H3,(H,13,14)
InChIKeyDNMSPZZRJXFWEC-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.64
Rot. Bonds2

About 2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile

2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile (PubChem CID 10976543) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile
PubChem CID10976543
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile
SMILESCOc1ccc2c(c1)C(CC#N)C(=O)N2
InChIInChI=1S/C11H10N2O2/c1-15-7-2-3-10-9(6-7)8(4-5-12)11(14)13-10/h2-3,6,8H,4H2,1H3,(H,13,14)
InChIKeyDNMSPZZRJXFWEC-UHFFFAOYSA-N
XLogP1.64
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methoxyisatin
CID 38333
2-(5-Methoxy-2-oxo-1-phenethyl-1,2-dihydro-indol-3-ylidene)-malononitrile
CID 4020724
3-Hydroxy-3-(3-methoxyphenyl)indolin-2-one
CID 5297648
7-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
CID 4674196
N-[5-methoxy-2-oxo-1-(2-phenylethyl)-2,3-dihydro-1H-indol-3-yl]acetamide
CID 3159328
5,6-Dimethoxyindolin-2-one
CID 222993
5-(3-Methoxy-phenyl)-3,3-dimethyl-1,3-dihydro-indol-2-one
CID 9860141
3,3-Bis-(4-hydroxy-phenyl)-5-methoxy-1,3-dihydro-indol-2-one
CID 12218509
(5-Methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile
CID 605506
4-Methoxy-2-indolinone
CID 596001
5-Methoxyoxindole
CID 1514286
3-hydroxy-5-methoxy-3-methyl-2,3-dihydro-1H-indol-2-one
CID 101060518

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile?
The IUPAC name of 2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile (CID 10976543) is 2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile?
The canonical SMILES for 2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile is COc1ccc2c(c1)C(CC#N)C(=O)N2.
What is the InChIKey of 2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile?
The InChIKey is DNMSPZZRJXFWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-7-2-3-10-9(6-7)8(4-5-12)11(14)13-10/h2-3,6,8H,4H2,1H3,(H,13,14).
What are the key properties of 2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile?
2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile has a molecular weight of 202.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile is sourced from PubChem (CID 10976543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).