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

C15H13N3 — CID 6540034

IUPAC(5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC/C2=C/c1cnc[nH]1
InChIInChI=1S/C15H13N3/c16-8-11-4-5-15-12(6-11)2-1-3-13(15)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)/b13-7-
InChIKeyAEBLXEQBDHHLKP-QPEQYQDCSA-N
MW235.29 g/mol
LogP3.16
Rot. Bonds1

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

(5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile (PubChem CID 6540034) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is (5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name(5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile
PubChem CID6540034
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name(5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC/C2=C/c1cnc[nH]1
InChIInChI=1S/C15H13N3/c16-8-11-4-5-15-12(6-11)2-1-3-13(15)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)/b13-7-
InChIKeyAEBLXEQBDHHLKP-QPEQYQDCSA-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 (5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile?
The IUPAC name of (5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile (CID 6540034) is (5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile.
What is the SMILES notation for (5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile?
The canonical SMILES for (5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCC/C2=C/c1cnc[nH]1.
What is the InChIKey of (5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile?
The InChIKey is AEBLXEQBDHHLKP-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H13N3/c16-8-11-4-5-15-12(6-11)2-1-3-13(15)7-14-9-17-10-18-14/h4-7,9-10H,1-3H2,(H,17,18)/b13-7-.
What are the key properties of (5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile?
(5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-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 (5Z)-5-(1H-imidazol-5-ylmethylidene)-7,8-dihydro-6H-naphthalene-2-carbonitrile is sourced from PubChem (CID 6540034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).