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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Propan-2-ylcyclopenta[b]pyrrole
CID 17855613
2-Butylcyclopenta[b]pyrrole
CID 17855694
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
(2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole
CID 58157107
2,3,5-tri(propan-2-yl)-3H-pyrrole
CID 58164588
2,5-di(propan-2-yl)-3H-pyrrole
CID 58428380
4-ethyl-2-[(E,3Z)-3-(4-ethyl-3,5-dimethylpyrrol-1-ium-2-ylidene)prop-1-enyl]-3,5-dimethyl-3H-pyrrole
CID 58652211
5-methyl-2-propan-2-yl-3H-pyrrole
CID 58746479
3-Ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
CID 59066683
N-(6-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohex-2-en-1-imine
CID 68004378
2-Propan-2-yl-3,5-dihydrocyclopenta[b]pyrrole
CID 68078483
2-Propan-2-yl-3,6-dihydrocyclopenta[b]pyrrole
CID 68078507

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).