3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole

C11H16N2 — CID 167237953

IUPAC3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole
SMILESC=C1C(C2=NCC(C)=C2)CCN1C
InChIInChI=1S/C11H16N2/c1-8-6-11(12-7-8)10-4-5-13(3)9(10)2/h6,10H,2,4-5,7H2,1,3H3
InChIKeyFCSIFEBYTDXGKV-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.85
Rot. Bonds1

About 3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole

3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole (PubChem CID 167237953) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole.

Molecular Properties

Compound Name3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole
PubChem CID167237953
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole
SMILESC=C1C(C2=NCC(C)=C2)CCN1C
InChIInChI=1S/C11H16N2/c1-8-6-11(12-7-8)10-4-5-13(3)9(10)2/h6,10H,2,4-5,7H2,1,3H3
InChIKeyFCSIFEBYTDXGKV-UHFFFAOYSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole?
The IUPAC name of 3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole (CID 167237953) is 3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole.
What is the SMILES notation for 3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole?
The canonical SMILES for 3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole is C=C1C(C2=NCC(C)=C2)CCN1C.
What is the InChIKey of 3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole?
The InChIKey is FCSIFEBYTDXGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-6-11(12-7-8)10-4-5-13(3)9(10)2/h6,10H,2,4-5,7H2,1,3H3.
What are the key properties of 3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole?
3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole has a molecular weight of 176.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole is sourced from PubChem (CID 167237953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).