2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one

C15H18N2O — CID 117358132

IUPAC2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one
SMILESO=C1c2cc(C3CCCN3)ccc2CN1C1CC1
InChIInChI=1S/C15H18N2O/c18-15-13-8-10(14-2-1-7-16-14)3-4-11(13)9-17(15)12-5-6-12/h3-4,8,12,14,16H,1-2,5-7,9H2
InChIKeyMJOMYRKTRYXSGV-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.23
Rot. Bonds2

About 2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one

2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one (PubChem CID 117358132) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one
PubChem CID117358132
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one
SMILESO=C1c2cc(C3CCCN3)ccc2CN1C1CC1
InChIInChI=1S/C15H18N2O/c18-15-13-8-10(14-2-1-7-16-14)3-4-11(13)9-17(15)12-5-6-12/h3-4,8,12,14,16H,1-2,5-7,9H2
InChIKeyMJOMYRKTRYXSGV-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one
CID 117394555
2-propan-2-yl-6-pyrrolidin-2-yl-3H-isoindol-1-one
CID 117363194
2-(1-methylpiperidin-4-yl)-6-[(5S)-5-methylpiperidin-2-yl]-3H-isoindol-1-one
CID 164753272
2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one
CID 129278486
2-cyclopropyl-3-oxo-1H-isoindole-5-carbaldehyde
CID 83819356
3-[3-oxo-6-[(2S)-piperidin-2-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171545886
6-hydroxy-2-piperidin-4-yl-3H-isoindol-1-one
CID 129014061
2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one
CID 83840436
6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one
CID 117388985
1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one
CID 82284941
1-methyl-6-pyrrolidin-2-yl-3,4-dihydroquinolin-2-one
CID 82288921
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one?
The IUPAC name of 2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one (CID 117358132) is 2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one is O=C1c2cc(C3CCCN3)ccc2CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one?
The InChIKey is MJOMYRKTRYXSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15-13-8-10(14-2-1-7-16-14)3-4-11(13)9-17(15)12-5-6-12/h3-4,8,12,14,16H,1-2,5-7,9H2.
What are the key properties of 2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one?
2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-pyrrolidin-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 117358132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).