1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole

C10H18N2 — CID 126996409

IUPAC1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole
SMILESCC1CCNC1CN1CC=CC1
InChIInChI=1S/C10H18N2/c1-9-4-5-11-10(9)8-12-6-2-3-7-12/h2-3,9-11H,4-8H2,1H3
InChIKeyNVGMXNUBYMYICO-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.86
Rot. Bonds2

About 1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole

1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole (PubChem CID 126996409) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole
PubChem CID126996409
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole
SMILESCC1CCNC1CN1CC=CC1
InChIInChI=1S/C10H18N2/c1-9-4-5-11-10(9)8-12-6-2-3-7-12/h2-3,9-11H,4-8H2,1H3
InChIKeyNVGMXNUBYMYICO-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.86
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 1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole?
The IUPAC name of 1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole (CID 126996409) is 1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole.
What is the SMILES notation for 1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole?
The canonical SMILES for 1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole is CC1CCNC1CN1CC=CC1.
What is the InChIKey of 1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole?
The InChIKey is NVGMXNUBYMYICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9-4-5-11-10(9)8-12-6-2-3-7-12/h2-3,9-11H,4-8H2,1H3.
What are the key properties of 1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole?
1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole has a molecular weight of 166.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole is sourced from PubChem (CID 126996409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).