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

C15H22N2 — CID 63143296

IUPAC2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
SMILESCCC1(CN2Cc3ccccc3C2)CCNC1
InChIInChI=1S/C15H22N2/c1-2-15(7-8-16-11-15)12-17-9-13-5-3-4-6-14(13)10-17/h3-6,16H,2,7-12H2,1H3
InChIKeySBBSVUULRRYLSC-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.39
Rot. Bonds3

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

2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole (PubChem CID 63143296) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
PubChem CID63143296
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
SMILESCCC1(CN2Cc3ccccc3C2)CCNC1
InChIInChI=1S/C15H22N2/c1-2-15(7-8-16-11-15)12-17-9-13-5-3-4-6-14(13)10-17/h3-6,16H,2,7-12H2,1H3
InChIKeySBBSVUULRRYLSC-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole (CID 63143296) is 2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole is CCC1(CN2Cc3ccccc3C2)CCNC1.
What is the InChIKey of 2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole?
The InChIKey is SBBSVUULRRYLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-15(7-8-16-11-15)12-17-9-13-5-3-4-6-14(13)10-17/h3-6,16H,2,7-12H2,1H3.
What are the key properties of 2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole?
2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole has a molecular weight of 230.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 63143296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).