1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole

C11H20N2 — CID 12761489

IUPAC1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole
SMILESCN1CC=C(N2CCCC2)C1(C)C
InChIInChI=1S/C11H20N2/c1-11(2)10(6-9-12(11)3)13-7-4-5-8-13/h6H,4-5,7-9H2,1-3H3
InChIKeyVSRNZNPSPJEAJN-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.69
Rot. Bonds1

About 1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole

1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole (PubChem CID 12761489) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole.

Molecular Properties

Compound Name1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole
PubChem CID12761489
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole
SMILESCN1CC=C(N2CCCC2)C1(C)C
InChIInChI=1S/C11H20N2/c1-11(2)10(6-9-12(11)3)13-7-4-5-8-13/h6H,4-5,7-9H2,1-3H3
InChIKeyVSRNZNPSPJEAJN-UHFFFAOYSA-N
XLogP1.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 22996622
CID 22996622
CID 22996623
CID 22996623
CID 130334777
CID 130334777
CID 138577881
CID 138577881
CID 142041417
CID 142041417
CID 71397450
CID 71397450

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole?
The IUPAC name of 1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole (CID 12761489) is 1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole.
What is the SMILES notation for 1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole?
The canonical SMILES for 1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole is CN1CC=C(N2CCCC2)C1(C)C.
What is the InChIKey of 1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole?
The InChIKey is VSRNZNPSPJEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(2)10(6-9-12(11)3)13-7-4-5-8-13/h6H,4-5,7-9H2,1-3H3.
What are the key properties of 1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole?
1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole has a molecular weight of 180.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-4-pyrrolidin-1-yl-2H-pyrrole is sourced from PubChem (CID 12761489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).