(2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole

C9H11N — CID 142103402

IUPAC(2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/[nH]c(C)cc1=C
InChIInChI=1S/C9H11N/c1-4-5-9-7(2)6-8(3)10-9/h4-6,10H,1-2H2,3H3/b9-5+
InChIKeyZYWXQTIIDQLKGK-WEVVVXLNSA-N
MW133.19 g/mol
LogP0.70
Rot. Bonds1

About (2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole

(2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole (PubChem CID 142103402) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole.

Molecular Properties

Compound Name(2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole
PubChem CID142103402
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/[nH]c(C)cc1=C
InChIInChI=1S/C9H11N/c1-4-5-9-7(2)6-8(3)10-9/h4-6,10H,1-2H2,3H3/b9-5+
InChIKeyZYWXQTIIDQLKGK-WEVVVXLNSA-N
XLogP0.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2Z)-2-(1-fluoroethylidene)-5-methyl-3-methylidene-1H-pyrrole
CID 145145186
3,5-dimethylidene-4-prop-2-enylidenecyclopentene
CID 159609678
(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
CID 144634156
2,3-di(ethylidene)-5-methyl-1H-pyrrole
CID 123884571
ethane;(4Z,5E)-4-ethylidene-2,3-dimethyl-5-prop-2-enylidene-1H-pyrrole
CID 142460419
(3Z)-5-methyl-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-amine
CID 172627947
(2E,3Z,4Z,5E)-2,5-di(ethylidene)-3,4-bis(prop-2-enylidene)pyrrolidine
CID 144844231
2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-1H-pyridin-4-one
CID 143874745
5-tert-butyl-2,3-dimethylidene-1H-pyrrole
CID 139474096
3,5-dimethyl-2-[(E)-(3-methyl-5-methylidenepyrrol-2-ylidene)methyl]-1H-pyrrole
CID 123577468
(3E)-6-hydroxy-4-methylidene-3-prop-2-enylidene-1H-pyridine-2-thione
CID 143606054
2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44887209

Frequently Asked Questions

What is the IUPAC name of (2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole?
The IUPAC name of (2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole (CID 142103402) is (2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole.
What is the SMILES notation for (2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole?
The canonical SMILES for (2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole is C=C/C=c1/[nH]c(C)cc1=C.
What is the InChIKey of (2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole?
The InChIKey is ZYWXQTIIDQLKGK-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H11N/c1-4-5-9-7(2)6-8(3)10-9/h4-6,10H,1-2H2,3H3/b9-5+.
What are the key properties of (2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole?
(2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole has a molecular weight of 133.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-3-methylidene-2-prop-2-enylidene-1H-pyrrole is sourced from PubChem (CID 142103402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).