(4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole

C12H17N — CID 130471558

IUPAC(4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole
SMILESC=C1N=C(C)C(C)(C)/C1=C/C=C\C
InChIInChI=1S/C12H17N/c1-6-7-8-11-9(2)13-10(3)12(11,4)5/h6-8H,2H2,1,3-5H3/b7-6-,11-8+
InChIKeyVOZBFMOGVBDTPJ-BQGCWICQSA-N
MW175.27 g/mol
LogP3.50
Rot. Bonds1

About (4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole

(4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole (PubChem CID 130471558) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole.

Molecular Properties

Compound Name(4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole
PubChem CID130471558
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole
SMILESC=C1N=C(C)C(C)(C)/C1=C/C=C\C
InChIInChI=1S/C12H17N/c1-6-7-8-11-9(2)13-10(3)12(11,4)5/h6-8H,2H2,1,3-5H3/b7-6-,11-8+
InChIKeyVOZBFMOGVBDTPJ-BQGCWICQSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole?
The IUPAC name of (4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole (CID 130471558) is (4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole.
What is the SMILES notation for (4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole?
The canonical SMILES for (4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole is C=C1N=C(C)C(C)(C)/C1=C/C=C\C.
What is the InChIKey of (4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole?
The InChIKey is VOZBFMOGVBDTPJ-BQGCWICQSA-N. The full InChI is InChI=1S/C12H17N/c1-6-7-8-11-9(2)13-10(3)12(11,4)5/h6-8H,2H2,1,3-5H3/b7-6-,11-8+.
What are the key properties of (4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole?
(4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole has a molecular weight of 175.27 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(Z)-but-2-enylidene]-2,3,3-trimethyl-5-methylidenepyrrole is sourced from PubChem (CID 130471558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).