1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile

C20H18N2O2 — CID 136536362

IUPAC1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile
SMILESCOc1ccc2c(c1)C(C(=O)N1CCc3ccc(C#N)cc31)CC2
InChIInChI=1S/C20H18N2O2/c1-24-16-6-4-14-5-7-17(18(14)11-16)20(23)22-9-8-15-3-2-13(12-21)10-19(15)22/h2-4,6,10-11,17H,5,7-9H2,1H3
InChIKeyQMLBOQZJWARDCJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.19
Rot. Bonds2

About 1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile

1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile (PubChem CID 136536362) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile
PubChem CID136536362
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile
SMILESCOc1ccc2c(c1)C(C(=O)N1CCc3ccc(C#N)cc31)CC2
InChIInChI=1S/C20H18N2O2/c1-24-16-6-4-14-5-7-17(18(14)11-16)20(23)22-9-8-15-3-2-13(12-21)10-19(15)22/h2-4,6,10-11,17H,5,7-9H2,1H3
InChIKeyQMLBOQZJWARDCJ-UHFFFAOYSA-N
XLogP3.19
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile?
The IUPAC name of 1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile (CID 136536362) is 1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile?
The canonical SMILES for 1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile is COc1ccc2c(c1)C(C(=O)N1CCc3ccc(C#N)cc31)CC2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile?
The InChIKey is QMLBOQZJWARDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-16-6-4-14-5-7-17(18(14)11-16)20(23)22-9-8-15-3-2-13(12-21)10-19(15)22/h2-4,6,10-11,17H,5,7-9H2,1H3.
What are the key properties of 1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile?
1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)-2,3-dihydroindole-6-carbonitrile is sourced from PubChem (CID 136536362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).