6H-furo[2,3-f]isoindole-5-carbonitrile

C11H6N2O — CID 164596137

IUPAC6H-furo[2,3-f]isoindole-5-carbonitrile
SMILESN#Cc1[nH]cc2cc3occc3cc12
InChIInChI=1S/C11H6N2O/c12-5-10-9-3-7-1-2-14-11(7)4-8(9)6-13-10/h1-4,6,13H
InChIKeyQPOFMJKUQOQIPU-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.79
Rot. Bonds

About 6H-furo[2,3-f]isoindole-5-carbonitrile

6H-furo[2,3-f]isoindole-5-carbonitrile (PubChem CID 164596137) has the molecular formula C11H6N2O and a molecular weight of 182.18 g/mol. Its IUPAC name is 6H-furo[2,3-f]isoindole-5-carbonitrile.

Molecular Properties

Compound Name6H-furo[2,3-f]isoindole-5-carbonitrile
PubChem CID164596137
Molecular FormulaC11H6N2O
Molecular Weight182.18 g/mol
Exact Mass182.05
IUPAC Name6H-furo[2,3-f]isoindole-5-carbonitrile
SMILESN#Cc1[nH]cc2cc3occc3cc12
InChIInChI=1S/C11H6N2O/c12-5-10-9-3-7-1-2-14-11(7)4-8(9)6-13-10/h1-4,6,13H
InChIKeyQPOFMJKUQOQIPU-UHFFFAOYSA-N
XLogP2.79
TPSA52.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031
2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile
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2-(5H-furo[2,3-f]indol-7-yl)-N,N-dimethylethanamine
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5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile
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3-[2-[4-(1-benzofuran-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
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5-ethyl-6-methyl-1-benzofuran
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6-chlorofuro[3,2-g]chromen-5-one
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6,7,8,9-tetrahydrofuro[3,2-b]xanthen-5-one
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7-oxa-11-azaheptacyclo[18.8.0.02,10.04,8.011,19.012,17.021,26]octacosa-1(20),2(10),3,5,8,12,14,16,18,21,23,25,27-tridecaene
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CID 54066355

Frequently Asked Questions

What is the IUPAC name of 6H-furo[2,3-f]isoindole-5-carbonitrile?
The IUPAC name of 6H-furo[2,3-f]isoindole-5-carbonitrile (CID 164596137) is 6H-furo[2,3-f]isoindole-5-carbonitrile.
What is the SMILES notation for 6H-furo[2,3-f]isoindole-5-carbonitrile?
The canonical SMILES for 6H-furo[2,3-f]isoindole-5-carbonitrile is N#Cc1[nH]cc2cc3occc3cc12.
What is the InChIKey of 6H-furo[2,3-f]isoindole-5-carbonitrile?
The InChIKey is QPOFMJKUQOQIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O/c12-5-10-9-3-7-1-2-14-11(7)4-8(9)6-13-10/h1-4,6,13H.
What are the key properties of 6H-furo[2,3-f]isoindole-5-carbonitrile?
6H-furo[2,3-f]isoindole-5-carbonitrile has a molecular weight of 182.18 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-furo[2,3-f]isoindole-5-carbonitrile is sourced from PubChem (CID 164596137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).