(4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole

C9H13N — CID 162362030

IUPAC(4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole
SMILESC=c1[nH]c(C)c(C)/c1=C\C
InChIInChI=1S/C9H13N/c1-5-9-6(2)7(3)10-8(9)4/h5,10H,4H2,1-3H3/b9-5+
InChIKeyZSUHSBCOYVCGSE-WEVVVXLNSA-N
MW135.21 g/mol
LogP0.84
Rot. Bonds

About (4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole

(4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole (PubChem CID 162362030) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole.

Molecular Properties

Compound Name(4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole
PubChem CID162362030
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole
SMILESC=c1[nH]c(C)c(C)/c1=C\C
InChIInChI=1S/C9H13N/c1-5-9-6(2)7(3)10-8(9)4/h5,10H,4H2,1-3H3/b9-5+
InChIKeyZSUHSBCOYVCGSE-WEVVVXLNSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole
CID 142460419
(3Z,5E)-3-ethylidene-2-methylidene-5-(2-methylprop-2-enylidene)-4-propan-2-ylidenepyrrolidine
CID 155583234
ethane;2,3,4,5-tetramethyl-1H-pyrrole
CID 91515820
2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene
CID 143016704
(3Z)-5-fluoro-2-methylidene-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indole
CID 142872989
(2E,3Z,4Z,5E)-2,5-di(ethylidene)-3,4-bis(prop-2-enylidene)pyrrolidine
CID 144844231
(2E,3Z)-2,3-di(ethylidene)-4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrole
CID 167284347
(5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene
CID 174151451
2,3,4-trimethyl-5-penta-1,3-dienyl-1H-pyrrole
CID 151837889
(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
CID 144634156
(5Z,6E)-5,6-di(ethylidene)-4-methylpyridin-2-one
CID 139296680
ethane;prop-1-ene;2,3,5-trimethyl-1H-indole
CID 143420454

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole?
The IUPAC name of (4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole (CID 162362030) is (4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole.
What is the SMILES notation for (4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole?
The canonical SMILES for (4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole is C=c1[nH]c(C)c(C)/c1=C\C.
What is the InChIKey of (4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole?
The InChIKey is ZSUHSBCOYVCGSE-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H13N/c1-5-9-6(2)7(3)10-8(9)4/h5,10H,4H2,1-3H3/b9-5+.
What are the key properties of (4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole?
(4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-2,3-dimethyl-5-methylidene-1H-pyrrole is sourced from PubChem (CID 162362030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).