6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile

C14H11N3 — CID 15049002

IUPAC6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC(n1ccnc1)=C2
InChIInChI=1S/C14H11N3/c15-9-11-1-2-13-8-14(4-3-12(13)7-11)17-6-5-16-10-17/h1-2,5-8,10H,3-4H2
InChIKeyFJVRBJBZDWTUKQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.70
Rot. Bonds1

About 6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile

6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile (PubChem CID 15049002) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile
PubChem CID15049002
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC(n1ccnc1)=C2
InChIInChI=1S/C14H11N3/c15-9-11-1-2-13-8-14(4-3-12(13)7-11)17-6-5-16-10-17/h1-2,5-8,10H,3-4H2
InChIKeyFJVRBJBZDWTUKQ-UHFFFAOYSA-N
XLogP2.70
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile?
The IUPAC name of 6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile (CID 15049002) is 6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCC(n1ccnc1)=C2.
What is the InChIKey of 6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile?
The InChIKey is FJVRBJBZDWTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-9-11-1-2-13-8-14(4-3-12(13)7-11)17-6-5-16-10-17/h1-2,5-8,10H,3-4H2.
What are the key properties of 6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile?
6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile is sourced from PubChem (CID 15049002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).