2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile

C12H13NO — CID 84770381

IUPAC2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile
SMILESCOc1ccc(CC#N)c2c1CCC2
InChIInChI=1S/C12H13NO/c1-14-12-6-5-9(7-8-13)10-3-2-4-11(10)12/h5-6H,2-4,7H2,1H3
InChIKeyMTOPYMZWJPEOJI-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.25
Rot. Bonds2

About 2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile

2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile (PubChem CID 84770381) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile
PubChem CID84770381
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile
SMILESCOc1ccc(CC#N)c2c1CCC2
InChIInChI=1S/C12H13NO/c1-14-12-6-5-9(7-8-13)10-3-2-4-11(10)12/h5-6H,2-4,7H2,1H3
InChIKeyMTOPYMZWJPEOJI-UHFFFAOYSA-N
XLogP2.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-ethyl-3,4-dimethoxyphenyl)acetonitrile
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2-[5-[(dimethylamino)methyl]-2-methoxyphenyl]acetonitrile
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2-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile
CID 117277009
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2-[2-methoxy-5-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518962
1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one
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2-[2-methoxy-4-(2-methylpropyl)phenyl]acetonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile?
The IUPAC name of 2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile (CID 84770381) is 2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile.
What is the SMILES notation for 2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile?
The canonical SMILES for 2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile is COc1ccc(CC#N)c2c1CCC2.
What is the InChIKey of 2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile?
The InChIKey is MTOPYMZWJPEOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-12-6-5-9(7-8-13)10-3-2-4-11(10)12/h5-6H,2-4,7H2,1H3.
What are the key properties of 2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile?
2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile has a molecular weight of 187.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile is sourced from PubChem (CID 84770381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).