3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole

C10H16N2 — CID 159697912

IUPAC3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole
SMILESCC1=NCC(C)=C1C1CCNC1
InChIInChI=1S/C10H16N2/c1-7-5-12-8(2)10(7)9-3-4-11-6-9/h9,11H,3-6H2,1-2H3
InChIKeyMXGDXWDIWIMCNS-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.39
Rot. Bonds1

About 3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole

3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole (PubChem CID 159697912) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole.

Molecular Properties

Compound Name3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole
PubChem CID159697912
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole
SMILESCC1=NCC(C)=C1C1CCNC1
InChIInChI=1S/C10H16N2/c1-7-5-12-8(2)10(7)9-3-4-11-6-9/h9,11H,3-6H2,1-2H3
InChIKeyMXGDXWDIWIMCNS-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
CID 89037011
4-methyl-N-[(1Z)-1-pyrrolidin-3-ylideneethyl]hexan-1-imine
CID 91367989
N-methyl-2-(3-methyl-4-methyliminocyclopent-2-en-1-yl)ethanamine
CID 123472772
4-ethylidene-N,5-dimethyl-5-propan-2-ylpyrrolidin-3-imine
CID 123614076
(E)-4-pyrrolidin-3-ylpent-3-en-2-imine
CID 123879311
4-(3-Methylhexan-2-ylidene)piperidin-3-imine
CID 123972348
5-Methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135306
(Z)-4-imino-3-pyrrolidin-3-ylpent-2-en-2-amine;molecular hydrogen
CID 153331309
7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine
CID 155374140
N,2-dimethyl-1-(4-methyl-2,5-dihydro-1H-pyrrol-3-yl)butan-1-imine
CID 156452549
5-methyl-4-pyrrolidin-3-yl-2H-pyrrole
CID 158880750
5-cyclopropyl-4-pyrrolidin-3-yl-2H-pyrrole
CID 160735393

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole?
The IUPAC name of 3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole (CID 159697912) is 3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole.
What is the SMILES notation for 3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole?
The canonical SMILES for 3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole is CC1=NCC(C)=C1C1CCNC1.
What is the InChIKey of 3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole?
The InChIKey is MXGDXWDIWIMCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-5-12-8(2)10(7)9-3-4-11-6-9/h9,11H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole?
3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole has a molecular weight of 164.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-pyrrolidin-3-yl-2H-pyrrole is sourced from PubChem (CID 159697912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).