2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile

C14H11N — CID 55264302

IUPAC2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile
SMILESN#CC1CCc2cc3ccccc3cc21
InChIInChI=1S/C14H11N/c15-9-13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)13/h1-4,7-8,13H,5-6H2
InChIKeyYDBDSZLWDHJAOY-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.39
Rot. Bonds

About 2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile

2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile (PubChem CID 55264302) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile.

Molecular Properties

Compound Name2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile
PubChem CID55264302
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile
SMILESN#CC1CCc2cc3ccccc3cc21
InChIInChI=1S/C14H11N/c15-9-13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)13/h1-4,7-8,13H,5-6H2
InChIKeyYDBDSZLWDHJAOY-UHFFFAOYSA-N
XLogP3.39
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile?
The IUPAC name of 2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile (CID 55264302) is 2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile.
What is the SMILES notation for 2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile?
The canonical SMILES for 2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile is N#CC1CCc2cc3ccccc3cc21.
What is the InChIKey of 2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile?
The InChIKey is YDBDSZLWDHJAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c15-9-13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)13/h1-4,7-8,13H,5-6H2.
What are the key properties of 2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile?
2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-cyclopenta[b]naphthalene-3-carbonitrile is sourced from PubChem (CID 55264302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).