(2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide

C15H16N2O4 — CID 127615822

IUPAC(2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NC2(c3ccc4c(c3)OCO4)CC2)N1
InChIInChI=1S/C15H16N2O4/c18-13-4-2-10(16-13)14(19)17-15(5-6-15)9-1-3-11-12(7-9)21-8-20-11/h1,3,7,10H,2,4-6,8H2,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeySVWDWMJSNJUWKC-SNVBAGLBSA-N
MW288.30 g/mol
LogP0.80
Rot. Bonds3

About (2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 127615822) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID127615822
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NC2(c3ccc4c(c3)OCO4)CC2)N1
InChIInChI=1S/C15H16N2O4/c18-13-4-2-10(16-13)14(19)17-15(5-6-15)9-1-3-11-12(7-9)21-8-20-11/h1,3,7,10H,2,4-6,8H2,(H,16,18)(H,17,19)/t10-/m1/s1
InChIKeySVWDWMJSNJUWKC-SNVBAGLBSA-N
XLogP0.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(1-phenylcyclobutyl)pyrrolidine-2-carboxamide
CID 110482244
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CID 126801193
N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
CID 78270217
(5S)-5-[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95336778
N-(1,3-benzodioxol-5-ylmethyl)-6-oxodiazinane-3-carboxamide
CID 78211627
N-(1,3-benzodioxol-5-yl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798048
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091248
(3aR,7aR)-3a-(1,3-benzodioxol-5-yl)-3,4,5,6,7,7a-hexahydro-1H-indol-2-one
CID 15461724
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215721
5-oxo-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyrrolidine-2-carboxamide
CID 110793048

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide (CID 127615822) is (2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NC2(c3ccc4c(c3)OCO4)CC2)N1.
What is the InChIKey of (2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SVWDWMJSNJUWKC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13-4-2-10(16-13)14(19)17-15(5-6-15)9-1-3-11-12(7-9)21-8-20-11/h1,3,7,10H,2,4-6,8H2,(H,16,18)(H,17,19)/t10-/m1/s1.
What are the key properties of (2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 127615822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).