(3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole

C14H17N — CID 154695345

IUPAC(3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole
SMILESC=C(C#CC(C)C)/C=c1/ccn(C)c1=C
InChIInChI=1S/C14H17N/c1-11(2)6-7-12(3)10-14-8-9-15(5)13(14)4/h8-11H,3-4H2,1-2,5H3/b14-10-
InChIKeySMMAFLZKFVBQDO-UVTDQMKNSA-N
MW199.30 g/mol
LogP1.43
Rot. Bonds1

About (3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole

(3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole (PubChem CID 154695345) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole.

Molecular Properties

Compound Name(3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole
PubChem CID154695345
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole
SMILESC=C(C#CC(C)C)/C=c1/ccn(C)c1=C
InChIInChI=1S/C14H17N/c1-11(2)6-7-12(3)10-14-8-9-15(5)13(14)4/h8-11H,3-4H2,1-2,5H3/b14-10-
InChIKeySMMAFLZKFVBQDO-UVTDQMKNSA-N
XLogP1.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole?
The IUPAC name of (3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole (CID 154695345) is (3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole.
What is the SMILES notation for (3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole?
The canonical SMILES for (3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole is C=C(C#CC(C)C)/C=c1/ccn(C)c1=C.
What is the InChIKey of (3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole?
The InChIKey is SMMAFLZKFVBQDO-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H17N/c1-11(2)6-7-12(3)10-14-8-9-15(5)13(14)4/h8-11H,3-4H2,1-2,5H3/b14-10-.
What are the key properties of (3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole?
(3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole has a molecular weight of 199.30 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-2-methylidene-3-(5-methyl-2-methylidenehex-3-ynylidene)pyrrole is sourced from PubChem (CID 154695345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).