2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

C18H20N2O4 — CID 121197508

IUPAC2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C18H20N2O4/c21-16(19-8-7-13(9-19)24-11-12-5-6-12)10-20-17(22)14-3-1-2-4-15(14)18(20)23/h1-4,12-13H,5-11H2
InChIKeyVCDUGCVRJUCHTI-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.31
Rot. Bonds5

About 2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 121197508) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID121197508
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C18H20N2O4/c21-16(19-8-7-13(9-19)24-11-12-5-6-12)10-20-17(22)14-3-1-2-4-15(14)18(20)23/h1-4,12-13H,5-11H2
InChIKeyVCDUGCVRJUCHTI-UHFFFAOYSA-N
XLogP1.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 9017520
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone
CID 121197489
2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
CID 717639
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119562529
2-[2-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110638923
2-[2-[4-(azepan-1-yl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110667092
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 119105498
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 119105515

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 121197508) is 2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(OCC2CC2)C1.
What is the InChIKey of 2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is VCDUGCVRJUCHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-16(19-8-7-13(9-19)24-11-12-5-6-12)10-20-17(22)14-3-1-2-4-15(14)18(20)23/h1-4,12-13H,5-11H2.
What are the key properties of 2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 328.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 121197508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).