3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole

C9H16N2 — CID 89425857

IUPAC3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole
SMILESCC1=CCN(C2CCNC2)C1
InChIInChI=1S/C9H16N2/c1-8-3-5-11(7-8)9-2-4-10-6-9/h3,9-10H,2,4-7H2,1H3
InChIKeyLSMVJCJZBLIRSO-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.61
Rot. Bonds1

About 3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole

3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole (PubChem CID 89425857) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole
PubChem CID89425857
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole
SMILESCC1=CCN(C2CCNC2)C1
InChIInChI=1S/C9H16N2/c1-8-3-5-11(7-8)9-2-4-10-6-9/h3,9-10H,2,4-7H2,1H3
InChIKeyLSMVJCJZBLIRSO-UHFFFAOYSA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole?
The IUPAC name of 3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole (CID 89425857) is 3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole.
What is the SMILES notation for 3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole?
The canonical SMILES for 3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole is CC1=CCN(C2CCNC2)C1.
What is the InChIKey of 3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole?
The InChIKey is LSMVJCJZBLIRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-3-5-11(7-8)9-2-4-10-6-9/h3,9-10H,2,4-7H2,1H3.
What are the key properties of 3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole?
3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole has a molecular weight of 152.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole is sourced from PubChem (CID 89425857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).