(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile

C11H11NO — CID 86319053

IUPAC(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCOc1ccc2c(c1)CC[C@@H]2C#N
InChIInChI=1S/C11H11NO/c1-13-10-4-5-11-8(6-10)2-3-9(11)7-12/h4-6,9H,2-3H2,1H3/t9-/m1/s1
InChIKeyLKARGKZNHMEEDA-SECBINFHSA-N
MW173.21 g/mol
LogP2.25
Rot. Bonds1

About (1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile

(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile (PubChem CID 86319053) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile.

Molecular Properties

Compound Name(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
PubChem CID86319053
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
SMILESCOc1ccc2c(c1)CC[C@@H]2C#N
InChIInChI=1S/C11H11NO/c1-13-10-4-5-11-8(6-10)2-3-9(11)7-12/h4-6,9H,2-3H2,1H3/t9-/m1/s1
InChIKeyLKARGKZNHMEEDA-SECBINFHSA-N
XLogP2.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
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2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
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(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
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(1R,2S)-2-ethenyl-6-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
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3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
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(3aS,9bS)-7-methoxy-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
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Frequently Asked Questions

What is the IUPAC name of (1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile?
The IUPAC name of (1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile (CID 86319053) is (1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile.
What is the SMILES notation for (1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile?
The canonical SMILES for (1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile is COc1ccc2c(c1)CC[C@@H]2C#N.
What is the InChIKey of (1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile?
The InChIKey is LKARGKZNHMEEDA-SECBINFHSA-N. The full InChI is InChI=1S/C11H11NO/c1-13-10-4-5-11-8(6-10)2-3-9(11)7-12/h4-6,9H,2-3H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile?
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile has a molecular weight of 173.21 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile is sourced from PubChem (CID 86319053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).