(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole

C9H12N2 — CID 126757741

IUPAC(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
SMILESC=C/C(C)=c1/nc[nH]/c1=C/C
InChIInChI=1S/C9H12N2/c1-4-7(3)9-8(5-2)10-6-11-9/h4-6H,1H2,2-3H3,(H,10,11)/b8-5+,9-7+
InChIKeyNJRGNZZGOBJWAP-OCIXRKKMSA-N
MW148.21 g/mol
LogP0.57
Rot. Bonds1

About (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole

(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole (PubChem CID 126757741) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
PubChem CID126757741
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
SMILESC=C/C(C)=c1/nc[nH]/c1=C/C
InChIInChI=1S/C9H12N2/c1-4-7(3)9-8(5-2)10-6-11-9/h4-6H,1H2,2-3H3,(H,10,11)/b8-5+,9-7+
InChIKeyNJRGNZZGOBJWAP-OCIXRKKMSA-N
XLogP0.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole?
The IUPAC name of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole (CID 126757741) is (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole.
What is the SMILES notation for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole?
The canonical SMILES for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole is C=C/C(C)=c1/nc[nH]/c1=C/C.
What is the InChIKey of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole?
The InChIKey is NJRGNZZGOBJWAP-OCIXRKKMSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-7(3)9-8(5-2)10-6-11-9/h4-6H,1H2,2-3H3,(H,10,11)/b8-5+,9-7+.
What are the key properties of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole?
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole has a molecular weight of 148.21 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole is sourced from PubChem (CID 126757741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).