2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one

C15H20N2O — CID 14975971

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one
SMILESCCN1CCCC1CN1Cc2ccccc2C1=O
InChIInChI=1S/C15H20N2O/c1-2-16-9-5-7-13(16)11-17-10-12-6-3-4-8-14(12)15(17)18/h3-4,6,8,13H,2,5,7,9-11H2,1H3
InChIKeyRRAIPMXLIFBOJM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.13
Rot. Bonds3

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one

2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one (PubChem CID 14975971) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one
PubChem CID14975971
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one
SMILESCCN1CCCC1CN1Cc2ccccc2C1=O
InChIInChI=1S/C15H20N2O/c1-2-16-9-5-7-13(16)11-17-10-12-6-3-4-8-14(12)15(17)18/h3-4,6,8,13H,2,5,7,9-11H2,1H3
InChIKeyRRAIPMXLIFBOJM-UHFFFAOYSA-N
XLogP2.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one (CID 14975971) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one is CCN1CCCC1CN1Cc2ccccc2C1=O.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one?
The InChIKey is RRAIPMXLIFBOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-16-9-5-7-13(16)11-17-10-12-6-3-4-8-14(12)15(17)18/h3-4,6,8,13H,2,5,7,9-11H2,1H3.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one?
2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one has a molecular weight of 244.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 14975971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).