2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole

C12H18N2 — CID 167079187

IUPAC2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole
SMILESC=C1C=CC(C)N1C(=C)C1CCCN1
InChIInChI=1S/C12H18N2/c1-9-6-7-10(2)14(9)11(3)12-5-4-8-13-12/h6-7,10,12-13H,1,3-5,8H2,2H3
InChIKeyHNDNXGDFBCSYFK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.03
Rot. Bonds2

About 2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole

2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole (PubChem CID 167079187) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole
PubChem CID167079187
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole
SMILESC=C1C=CC(C)N1C(=C)C1CCCN1
InChIInChI=1S/C12H18N2/c1-9-6-7-10(2)14(9)11(3)12-5-4-8-13-12/h6-7,10,12-13H,1,3-5,8H2,2H3
InChIKeyHNDNXGDFBCSYFK-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole?
The IUPAC name of 2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole (CID 167079187) is 2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole.
What is the SMILES notation for 2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole?
The canonical SMILES for 2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole is C=C1C=CC(C)N1C(=C)C1CCCN1.
What is the InChIKey of 2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole?
The InChIKey is HNDNXGDFBCSYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-6-7-10(2)14(9)11(3)12-5-4-8-13-12/h6-7,10,12-13H,1,3-5,8H2,2H3.
What are the key properties of 2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole?
2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole has a molecular weight of 190.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-1-(1-pyrrolidin-2-ylethenyl)-2H-pyrrole is sourced from PubChem (CID 167079187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).