butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine

C16H28N2 — CID 177019891

IUPACbutane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine
SMILESC=CN1N=C(C(C)C)C(C)=C/C1=C/C.CCCC
InChIInChI=1S/C12H18N2.C4H10/c1-6-11-8-10(5)12(9(3)4)13-14(11)7-2;1-3-4-2/h6-9H,2H2,1,3-5H3;3-4H2,1-2H3/b11-6-;
InChIKeyPJMLVVJCKAHEIR-AVHZNCSWSA-N
MW248.41 g/mol
LogP5.11
Rot. Bonds3

About butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine

butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine (PubChem CID 177019891) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine.

Molecular Properties

Compound Namebutane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine
PubChem CID177019891
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Namebutane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine
SMILESC=CN1N=C(C(C)C)C(C)=C/C1=C/C.CCCC
InChIInChI=1S/C12H18N2.C4H10/c1-6-11-8-10(5)12(9(3)4)13-14(11)7-2;1-3-4-2/h6-9H,2H2,1,3-5H3;3-4H2,1-2H3/b11-6-;
InChIKeyPJMLVVJCKAHEIR-AVHZNCSWSA-N
XLogP5.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine?
The IUPAC name of butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine (CID 177019891) is butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine.
What is the SMILES notation for butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine?
The canonical SMILES for butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine is C=CN1N=C(C(C)C)C(C)=C/C1=C/C.CCCC.
What is the InChIKey of butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine?
The InChIKey is PJMLVVJCKAHEIR-AVHZNCSWSA-N. The full InChI is InChI=1S/C12H18N2.C4H10/c1-6-11-8-10(5)12(9(3)4)13-14(11)7-2;1-3-4-2/h6-9H,2H2,1,3-5H3;3-4H2,1-2H3/b11-6-;.
What are the key properties of butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine?
butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine has a molecular weight of 248.41 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(6Z)-1-ethenyl-6-ethylidene-4-methyl-3-propan-2-ylpyridazine is sourced from PubChem (CID 177019891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).