(4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole

C9H14N2 — CID 170191491

IUPAC(4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole
SMILESC/C=c1\c(=C/CC)ncn1C
InChIInChI=1S/C9H14N2/c1-4-6-8-9(5-2)11(3)7-10-8/h5-7H,4H2,1-3H3/b8-6+,9-5+
InChIKeyDEBKSEWEOOVXSI-RFSWUZDDSA-N
MW150.22 g/mol
LogP0.41
Rot. Bonds1

About (4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole

(4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole (PubChem CID 170191491) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole
PubChem CID170191491
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole
SMILESC/C=c1\c(=C/CC)ncn1C
InChIInChI=1S/C9H14N2/c1-4-6-8-9(5-2)11(3)7-10-8/h5-7H,4H2,1-3H3/b8-6+,9-5+
InChIKeyDEBKSEWEOOVXSI-RFSWUZDDSA-N
XLogP0.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole?
The IUPAC name of (4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole (CID 170191491) is (4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole.
What is the SMILES notation for (4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole?
The canonical SMILES for (4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole is C/C=c1\c(=C/CC)ncn1C.
What is the InChIKey of (4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole?
The InChIKey is DEBKSEWEOOVXSI-RFSWUZDDSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-6-8-9(5-2)11(3)7-10-8/h5-7H,4H2,1-3H3/b8-6+,9-5+.
What are the key properties of (4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole?
(4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole has a molecular weight of 150.22 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-1-methyl-4-propylideneimidazole is sourced from PubChem (CID 170191491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).