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

C14H20N2 — CID 63143249

IUPAC2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
SMILESCC1(CN2Cc3ccccc3C2)CCNC1
InChIInChI=1S/C14H20N2/c1-14(6-7-15-10-14)11-16-8-12-4-2-3-5-13(12)9-16/h2-5,15H,6-11H2,1H3
InChIKeyIJVMJWNZACCMMK-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.00
Rot. Bonds2

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

2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole (PubChem CID 63143249) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
PubChem CID63143249
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
SMILESCC1(CN2Cc3ccccc3C2)CCNC1
InChIInChI=1S/C14H20N2/c1-14(6-7-15-10-14)11-16-8-12-4-2-3-5-13(12)9-16/h2-5,15H,6-11H2,1H3
InChIKeyIJVMJWNZACCMMK-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole (CID 63143249) is 2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole is CC1(CN2Cc3ccccc3C2)CCNC1.
What is the InChIKey of 2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole?
The InChIKey is IJVMJWNZACCMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-14(6-7-15-10-14)11-16-8-12-4-2-3-5-13(12)9-16/h2-5,15H,6-11H2,1H3.
What are the key properties of 2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole?
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole has a molecular weight of 216.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 63143249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).