(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole

C11H16N2 — CID 155378082

IUPAC(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole
SMILESC=C/C=c1/ncn(C(C)C)/c1=C/C
InChIInChI=1S/C11H16N2/c1-5-7-10-11(6-2)13(8-12-10)9(3)4/h5-9H,1H2,2-4H3/b10-7+,11-6+
InChIKeyXRLFTPOAMOZGAE-NXAIOARDSA-N
MW176.26 g/mol
LogP1.23
Rot. Bonds2

About (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole

(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole (PubChem CID 155378082) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole
PubChem CID155378082
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole
SMILESC=C/C=c1/ncn(C(C)C)/c1=C/C
InChIInChI=1S/C11H16N2/c1-5-7-10-11(6-2)13(8-12-10)9(3)4/h5-9H,1H2,2-4H3/b10-7+,11-6+
InChIKeyXRLFTPOAMOZGAE-NXAIOARDSA-N
XLogP1.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.23
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-propan-2-yl-4-prop-2-enylideneimidazole?
The IUPAC name of (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole (CID 155378082) is (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole.
What is the SMILES notation for (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole?
The canonical SMILES for (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole is C=C/C=c1/ncn(C(C)C)/c1=C/C.
What is the InChIKey of (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole?
The InChIKey is XRLFTPOAMOZGAE-NXAIOARDSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-7-10-11(6-2)13(8-12-10)9(3)4/h5-9H,1H2,2-4H3/b10-7+,11-6+.
What are the key properties of (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole?
(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole has a molecular weight of 176.26 g/mol, XLogP of 1.23, 2 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-propan-2-yl-4-prop-2-enylideneimidazole is sourced from PubChem (CID 155378082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).