(4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one

C17H19ClN2O3 — CID 95985978

IUPAC(4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2COC3)CN1c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c18-12-1-3-13(4-2-12)19-8-11(7-16(19)21)17(22)20-14-5-6-15(20)10-23-9-14/h1-4,11,14-15H,5-10H2/t11-,14-,15+/m1/s1
InChIKeyMTMFTZZOPUAEJX-DFBGVHRSSA-N
MW334.80 g/mol
LogP2.08
Rot. Bonds2

About (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one

(4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one (PubChem CID 95985978) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one
PubChem CID95985978
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name(4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2COC3)CN1c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c18-12-1-3-13(4-2-12)19-8-11(7-16(19)21)17(22)20-14-5-6-15(20)10-23-9-14/h1-4,11,14-15H,5-10H2/t11-,14-,15+/m1/s1
InChIKeyMTMFTZZOPUAEJX-DFBGVHRSSA-N
XLogP2.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(4-chlorophenyl)-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 6471738
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793
(4S)-1-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 7337159
5-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
CID 90540721
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137739
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9391181
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one (CID 95985978) is (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2[C@@H]3CC[C@H]2COC3)CN1c1ccc(Cl)cc1.
What is the InChIKey of (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one?
The InChIKey is MTMFTZZOPUAEJX-DFBGVHRSSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c18-12-1-3-13(4-2-12)19-8-11(7-16(19)21)17(22)20-14-5-6-15(20)10-23-9-14/h1-4,11,14-15H,5-10H2/t11-,14-,15+/m1/s1.
What are the key properties of (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one?
(4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one has a molecular weight of 334.80 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-chlorophenyl)-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95985978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).