2,3-di(ethylidene)-5-methyl-1H-pyrrole

C9H13N — CID 123884571

IUPAC2,3-di(ethylidene)-5-methyl-1H-pyrrole
SMILESCC=c1cc(C)[nH]c1=CC
InChIInChI=1S/C9H13N/c1-4-8-6-7(3)10-9(8)5-2/h4-6,10H,1-3H3
InChIKeyZESNECNSJQGOOV-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.92
Rot. Bonds

About 2,3-di(ethylidene)-5-methyl-1H-pyrrole

2,3-di(ethylidene)-5-methyl-1H-pyrrole (PubChem CID 123884571) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2,3-di(ethylidene)-5-methyl-1H-pyrrole.

Molecular Properties

Compound Name2,3-di(ethylidene)-5-methyl-1H-pyrrole
PubChem CID123884571
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2,3-di(ethylidene)-5-methyl-1H-pyrrole
SMILESCC=c1cc(C)[nH]c1=CC
InChIInChI=1S/C9H13N/c1-4-8-6-7(3)10-9(8)5-2/h4-6,10H,1-3H3
InChIKeyZESNECNSJQGOOV-UHFFFAOYSA-N
XLogP0.92
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
CID 144634156
(2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole
CID 142103402
(5Z,6E)-5,6-di(ethylidene)-4-methylpyridin-2-one
CID 139296680
2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44887209
2,3-dichloro-5-methyl-1H-pyrrole
CID 18918860
[(4Z,5E)-5-ethylidene-4-propylidene-1H-pyrrol-2-yl]boronic acid
CID 168940251
2,3-dichloro-5-methyl-1H-pyrrole;ethane
CID 143404608
ethane;(4Z,5Z)-4-ethylidene-5-(1-nitroethylidene)-1H-pyrrole-2-carboxylic acid
CID 142079616
ethane;methyl (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrole-2-carboxylate
CID 145311762
(5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane
CID 144546063
3,4-dichloro-6-methyl-1H-pyridin-2-one
CID 119098336
ethane;1-(3-ethenyl-5-methyl-1H-pyrrol-2-yl)-N-methylmethanimine
CID 144683553

Frequently Asked Questions

What is the IUPAC name of 2,3-di(ethylidene)-5-methyl-1H-pyrrole?
The IUPAC name of 2,3-di(ethylidene)-5-methyl-1H-pyrrole (CID 123884571) is 2,3-di(ethylidene)-5-methyl-1H-pyrrole.
What is the SMILES notation for 2,3-di(ethylidene)-5-methyl-1H-pyrrole?
The canonical SMILES for 2,3-di(ethylidene)-5-methyl-1H-pyrrole is CC=c1cc(C)[nH]c1=CC.
What is the InChIKey of 2,3-di(ethylidene)-5-methyl-1H-pyrrole?
The InChIKey is ZESNECNSJQGOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-4-8-6-7(3)10-9(8)5-2/h4-6,10H,1-3H3.
What are the key properties of 2,3-di(ethylidene)-5-methyl-1H-pyrrole?
2,3-di(ethylidene)-5-methyl-1H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(ethylidene)-5-methyl-1H-pyrrole is sourced from PubChem (CID 123884571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).