(1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile

C14H11N3 — CID 6540035

IUPAC(1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC/C2=C\c1cnc[nH]1
InChIInChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)/b12-6+
InChIKeyFFOSLNTUQPRRRB-WUXMJOGZSA-N
MW221.26 g/mol
LogP2.77
Rot. Bonds1

About (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile

(1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile (PubChem CID 6540035) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile.

Molecular Properties

Compound Name(1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile
PubChem CID6540035
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name(1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC/C2=C\c1cnc[nH]1
InChIInChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)/b12-6+
InChIKeyFFOSLNTUQPRRRB-WUXMJOGZSA-N
XLogP2.77
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile?
The IUPAC name of (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile (CID 6540035) is (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile.
What is the SMILES notation for (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile?
The canonical SMILES for (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile is N#Cc1ccc2c(c1)CC/C2=C\c1cnc[nH]1.
What is the InChIKey of (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile?
The InChIKey is FFOSLNTUQPRRRB-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H11N3/c15-7-10-1-4-14-11(5-10)2-3-12(14)6-13-8-16-9-17-13/h1,4-6,8-9H,2-3H2,(H,16,17)/b12-6+.
What are the key properties of (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile?
(1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(1H-imidazol-5-ylmethylidene)-2,3-dihydroindene-5-carbonitrile is sourced from PubChem (CID 6540035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).