(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C17H22N2O3 — CID 99730752

IUPAC(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H22N2O3/c20-16-8-13(9-19(16)10-14-2-1-5-22-14)17(21)18-15-7-11-3-4-12(15)6-11/h1-2,5,11-13,15H,3-4,6-10H2,(H,18,21)/t11-,12+,13+,15+/m0/s1
InChIKeyBFKROHHGJWJDLT-KYEXWDHISA-N
MW302.37 g/mol
LogP1.93
Rot. Bonds4

About (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 99730752) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID99730752
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H22N2O3/c20-16-8-13(9-19(16)10-14-2-1-5-22-14)17(21)18-15-7-11-3-4-12(15)6-11/h1-2,5,11-13,15H,3-4,6-10H2,(H,18,21)/t11-,12+,13+,15+/m0/s1
InChIKeyBFKROHHGJWJDLT-KYEXWDHISA-N
XLogP1.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 124825448
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109904
(3R)-1-(furan-2-ylmethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 52900244
1-(furan-2-ylmethyl)-5-oxo-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
CID 53497974
1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 51203979
(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 98639974
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-3-carboxamide
CID 95267149
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 99730752) is (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BFKROHHGJWJDLT-KYEXWDHISA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16-8-13(9-19(16)10-14-2-1-5-22-14)17(21)18-15-7-11-3-4-12(15)6-11/h1-2,5,11-13,15H,3-4,6-10H2,(H,18,21)/t11-,12+,13+,15+/m0/s1.
What are the key properties of (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99730752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).