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

C13H18N2 — CID 168515104

IUPAC2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole
SMILESCN1Cc2ccc(N3CCCC3)cc2C1
InChIInChI=1S/C13H18N2/c1-14-9-11-4-5-13(8-12(11)10-14)15-6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyMAZIMBFFJHONMI-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.23
Rot. Bonds1

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

2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole (PubChem CID 168515104) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole
PubChem CID168515104
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole
SMILESCN1Cc2ccc(N3CCCC3)cc2C1
InChIInChI=1S/C13H18N2/c1-14-9-11-4-5-13(8-12(11)10-14)15-6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyMAZIMBFFJHONMI-UHFFFAOYSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole?
The IUPAC name of 2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole (CID 168515104) is 2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole.
What is the SMILES notation for 2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole?
The canonical SMILES for 2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole is CN1Cc2ccc(N3CCCC3)cc2C1.
What is the InChIKey of 2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole?
The InChIKey is MAZIMBFFJHONMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-14-9-11-4-5-13(8-12(11)10-14)15-6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole?
2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole has a molecular weight of 202.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole is sourced from PubChem (CID 168515104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).