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

C9H11N — CID 122694749

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

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

(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole (PubChem CID 122694749) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole.

Molecular Properties

Compound Name(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole
PubChem CID122694749
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/cc(C)[nH]c1=C
InChIInChI=1S/C9H11N/c1-4-5-9-6-7(2)10-8(9)3/h4-6,10H,1,3H2,2H3/b9-5-
InChIKeyOOAVMQXBMFYBGQ-UITAMQMPSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole?
The IUPAC name of (3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole (CID 122694749) is (3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole.
What is the SMILES notation for (3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole?
The canonical SMILES for (3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole is C=C/C=c1/cc(C)[nH]c1=C.
What is the InChIKey of (3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole?
The InChIKey is OOAVMQXBMFYBGQ-UITAMQMPSA-N. The full InChI is InChI=1S/C9H11N/c1-4-5-9-6-7(2)10-8(9)3/h4-6,10H,1,3H2,2H3/b9-5-.
What are the key properties of (3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole?
(3Z)-5-methyl-2-methylidene-3-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 (3Z)-5-methyl-2-methylidene-3-prop-2-enylidene-1H-pyrrole is sourced from PubChem (CID 122694749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).