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

C10H14N2 — CID 167039129

IUPAC(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole
SMILESC=C/C(C)=c1/ncn(C)/c1=C/C
InChIInChI=1S/C10H14N2/c1-5-8(3)10-9(6-2)12(4)7-11-10/h5-7H,1H2,2-4H3/b9-6+,10-8+
InChIKeyWHIOLGQYGRCUDS-OAMUUVBCSA-N
MW162.24 g/mol
LogP0.58
Rot. Bonds1

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

(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole (PubChem CID 167039129) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole.

Molecular Properties

Compound Name(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole
PubChem CID167039129
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole
SMILESC=C/C(C)=c1/ncn(C)/c1=C/C
InChIInChI=1S/C10H14N2/c1-5-8(3)10-9(6-2)12(4)7-11-10/h5-7H,1H2,2-4H3/b9-6+,10-8+
InChIKeyWHIOLGQYGRCUDS-OAMUUVBCSA-N
XLogP0.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole?
The IUPAC name of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole (CID 167039129) is (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole.
What is the SMILES notation for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole?
The canonical SMILES for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole is C=C/C(C)=c1/ncn(C)/c1=C/C.
What is the InChIKey of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole?
The InChIKey is WHIOLGQYGRCUDS-OAMUUVBCSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-8(3)10-9(6-2)12(4)7-11-10/h5-7H,1H2,2-4H3/b9-6+,10-8+.
What are the key properties of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole?
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole has a molecular weight of 162.24 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-methylimidazole is sourced from PubChem (CID 167039129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).