(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile

C15H13N3 — CID 6540044

IUPAC(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)/C(=C/c1cnc[nH]1)CCC2
InChIInChI=1S/C15H13N3/c16-8-11-4-5-12-2-1-3-13(15(12)6-11)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)/b13-7+
InChIKeyQCSHDBFRWJERMU-NTUHNPAUSA-N
MW235.29 g/mol
LogP3.16
Rot. Bonds1

About (8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile

(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile (PubChem CID 6540044) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is (8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile
PubChem CID6540044
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)/C(=C/c1cnc[nH]1)CCC2
InChIInChI=1S/C15H13N3/c16-8-11-4-5-12-2-1-3-13(15(12)6-11)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)/b13-7+
InChIKeyQCSHDBFRWJERMU-NTUHNPAUSA-N
XLogP3.16
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile?
The IUPAC name of (8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile (CID 6540044) is (8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile.
What is the SMILES notation for (8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile?
The canonical SMILES for (8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile is N#Cc1ccc2c(c1)/C(=C/c1cnc[nH]1)CCC2.
What is the InChIKey of (8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile?
The InChIKey is QCSHDBFRWJERMU-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H13N3/c16-8-11-4-5-12-2-1-3-13(15(12)6-11)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)/b13-7+.
What are the key properties of (8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile?
(8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-(1H-imidazol-5-ylmethylidene)-6,7-dihydro-5H-naphthalene-2-carbonitrile is sourced from PubChem (CID 6540044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).