2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile

C11H10N2O2 — CID 84776695

IUPAC2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
SMILESCOc1cc(CC#N)cc2c1NC(=O)C2
InChIInChI=1S/C11H10N2O2/c1-15-9-5-7(2-3-12)4-8-6-10(14)13-11(8)9/h4-5H,2,6H2,1H3,(H,13,14)
InChIKeyHICMOJZNKNSDML-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.26
Rot. Bonds2

About 2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile

2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile (PubChem CID 84776695) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
PubChem CID84776695
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
SMILESCOc1cc(CC#N)cc2c1NC(=O)C2
InChIInChI=1S/C11H10N2O2/c1-15-9-5-7(2-3-12)4-8-6-10(14)13-11(8)9/h4-5H,2,6H2,1H3,(H,13,14)
InChIKeyHICMOJZNKNSDML-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 84779277
5-methoxy-6,7-dimethyl-1,3-dihydroindol-2-one
CID 22238086
7-methoxy-5-piperidin-2-yl-1,3-dihydroindol-2-one
CID 82622809
2-(3-iodo-4,5-dimethoxyphenyl)acetonitrile
CID 15133320
2-(4-isocyano-3,5-dimethoxyphenyl)acetonitrile
CID 177120940
2-(3-bromo-4,5-dimethoxyphenyl)acetonitrile
CID 54857282
5-(cyanomethyl)-2,3-dimethoxybenzonitrile
CID 117290768
2-(4-chloro-3-methoxy-5-methylphenyl)acetonitrile
CID 84773818
6-(hydroxymethyl)-8-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
CID 139777702
2-(4-butylsulfanyl-3,5-dimethoxyphenyl)acetonitrile
CID 44719636
2-[3-(cyanomethyl)-5-methoxyphenyl]acetonitrile
CID 19746279
2-(4-formyl-3-methoxyphenyl)acetonitrile
CID 21348723

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
The IUPAC name of 2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile (CID 84776695) is 2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile.
What is the SMILES notation for 2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
The canonical SMILES for 2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile is COc1cc(CC#N)cc2c1NC(=O)C2.
What is the InChIKey of 2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
The InChIKey is HICMOJZNKNSDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-9-5-7(2-3-12)4-8-6-10(14)13-11(8)9/h4-5H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile?
2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile has a molecular weight of 202.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2-oxo-1,3-dihydroindol-5-yl)acetonitrile is sourced from PubChem (CID 84776695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).