5-methylidene-2,3-di(propan-2-yl)pyrrole

C11H17N — CID 89449382

IUPAC5-methylidene-2,3-di(propan-2-yl)pyrrole
SMILESC=C1C=C(C(C)C)C(C(C)C)=N1
InChIInChI=1S/C11H17N/c1-7(2)10-6-9(5)12-11(10)8(3)4/h6-8H,5H2,1-4H3
InChIKeyYVYCOFFBONDBHW-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.19
Rot. Bonds2

About 5-methylidene-2,3-di(propan-2-yl)pyrrole

5-methylidene-2,3-di(propan-2-yl)pyrrole (PubChem CID 89449382) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-methylidene-2,3-di(propan-2-yl)pyrrole.

Molecular Properties

Compound Name5-methylidene-2,3-di(propan-2-yl)pyrrole
PubChem CID89449382
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-methylidene-2,3-di(propan-2-yl)pyrrole
SMILESC=C1C=C(C(C)C)C(C(C)C)=N1
InChIInChI=1S/C11H17N/c1-7(2)10-6-9(5)12-11(10)8(3)4/h6-8H,5H2,1-4H3
InChIKeyYVYCOFFBONDBHW-UHFFFAOYSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2,3-di(propan-2-yl)pyrrole?
The IUPAC name of 5-methylidene-2,3-di(propan-2-yl)pyrrole (CID 89449382) is 5-methylidene-2,3-di(propan-2-yl)pyrrole.
What is the SMILES notation for 5-methylidene-2,3-di(propan-2-yl)pyrrole?
The canonical SMILES for 5-methylidene-2,3-di(propan-2-yl)pyrrole is C=C1C=C(C(C)C)C(C(C)C)=N1.
What is the InChIKey of 5-methylidene-2,3-di(propan-2-yl)pyrrole?
The InChIKey is YVYCOFFBONDBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-7(2)10-6-9(5)12-11(10)8(3)4/h6-8H,5H2,1-4H3.
What are the key properties of 5-methylidene-2,3-di(propan-2-yl)pyrrole?
5-methylidene-2,3-di(propan-2-yl)pyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2,3-di(propan-2-yl)pyrrole is sourced from PubChem (CID 89449382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).