(3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one

C18H21FN2O3 — CID 97223350

IUPAC(3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one
SMILESO=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C18H21FN2O3/c19-13-1-3-14(4-2-13)21-8-5-15(17(21)23)16(22)20-9-6-18(11-20)7-10-24-12-18/h1-4,15H,5-12H2/t15-,18-/m1/s1
InChIKeyIVVPFYPDRVVCJU-CRAIPNDOSA-N
MW332.38 g/mol
LogP1.82
Rot. Bonds2

About (3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one

(3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one (PubChem CID 97223350) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one
PubChem CID97223350
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name(3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one
SMILESO=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C18H21FN2O3/c19-13-1-3-14(4-2-13)21-8-5-15(17(21)23)16(22)20-9-6-18(11-20)7-10-24-12-18/h1-4,15H,5-12H2/t15-,18-/m1/s1
InChIKeyIVVPFYPDRVVCJU-CRAIPNDOSA-N
XLogP1.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 120806501
4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 139002141
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
1-[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353711
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99786692
1-[1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 154864451
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 167772223
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
CID 167764287
1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione
CID 97151104
(5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124577031
2-oxa-7-azaspiro[4.4]nonan-7-yl(piperidin-3-yl)methanone
CID 119340778
2-oxa-7-azaspiro[4.4]nonan-7-yl(1,2-oxazol-5-yl)methanone
CID 131641455

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one (CID 97223350) is (3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one is O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N1CC[C@@]2(CCOC2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one?
The InChIKey is IVVPFYPDRVVCJU-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H21FN2O3/c19-13-1-3-14(4-2-13)21-8-5-15(17(21)23)16(22)20-9-6-18(11-20)7-10-24-12-18/h1-4,15H,5-12H2/t15-,18-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one?
(3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one has a molecular weight of 332.38 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-3-[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97223350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).