(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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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).