3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile

C12H11NO — CID 134108803

IUPAC3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile
SMILESN#CC1CCc2cc3c(cc21)OCC3
InChIInChI=1S/C12H11NO/c13-7-10-2-1-8-5-9-3-4-14-12(9)6-11(8)10/h5-6,10H,1-4H2
InChIKeyPRWJJDQJNBWKAH-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.17
Rot. Bonds

About 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile

3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile (PubChem CID 134108803) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile.

Molecular Properties

Compound Name3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile
PubChem CID134108803
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile
SMILESN#CC1CCc2cc3c(cc21)OCC3
InChIInChI=1S/C12H11NO/c13-7-10-2-1-8-5-9-3-4-14-12(9)6-11(8)10/h5-6,10H,1-4H2
InChIKeyPRWJJDQJNBWKAH-UHFFFAOYSA-N
XLogP2.17
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline
CID 83376428
6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 55264301
(4S)-3,4-dihydro-2H-chromene-4-carbonitrile
CID 51669858
6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 82074815
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
1-prop-2-enyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-yl)imidazol-1-ium
CID 71557197
2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 54894336
7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-5-carbonitrile
CID 82241513
7-bromo-2,3,4,5-tetrahydro-1-benzoxepine-5-carbonitrile
CID 82245030
4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide
CID 19838455
2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide
CID 14390153
(1S)-16,19-dimethoxy-5-oxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaene
CID 71109798

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile?
The IUPAC name of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile (CID 134108803) is 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile.
What is the SMILES notation for 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile?
The canonical SMILES for 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile is N#CC1CCc2cc3c(cc21)OCC3.
What is the InChIKey of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile?
The InChIKey is PRWJJDQJNBWKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c13-7-10-2-1-8-5-9-3-4-14-12(9)6-11(8)10/h5-6,10H,1-4H2.
What are the key properties of 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile?
3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-7-carbonitrile is sourced from PubChem (CID 134108803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).