1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one

C18H20Cl2N2O4 — CID 113190973

IUPAC1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(Cl)cc2Cl)C1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H20Cl2N2O4/c19-13-1-2-15(14(20)10-13)22-11-12(9-16(22)23)17(24)21-5-3-18(4-6-21)25-7-8-26-18/h1-2,10,12H,3-9,11H2
InChIKeyZCEQYZPHBJNXQW-UHFFFAOYSA-N
MW399.27 g/mol
LogP2.71
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one

1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one (PubChem CID 113190973) has the molecular formula C18H20Cl2N2O4 and a molecular weight of 399.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
PubChem CID113190973
Molecular FormulaC18H20Cl2N2O4
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(Cl)cc2Cl)C1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H20Cl2N2O4/c19-13-1-2-15(14(20)10-13)22-11-12(9-16(22)23)17(24)21-5-3-18(4-6-21)25-7-8-26-18/h1-2,10,12H,3-9,11H2
InChIKeyZCEQYZPHBJNXQW-UHFFFAOYSA-N
XLogP2.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 113188506
(4S)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 95098414
4-(azepane-1-carbonyl)-1-(2,5-dichlorophenyl)pyrrolidin-2-one
CID 113191077
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 46589862
1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113191047
(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione
CID 29101420
1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 113190991
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
1-(2,4-dichlorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113191026
1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
1-(4-chloro-2-methylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113187702

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one (CID 113190973) is 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(Cl)cc2Cl)C1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The InChIKey is ZCEQYZPHBJNXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4/c19-13-1-2-15(14(20)10-13)22-11-12(9-16(22)23)17(24)21-5-3-18(4-6-21)25-7-8-26-18/h1-2,10,12H,3-9,11H2.
What are the key properties of 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one has a molecular weight of 399.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113190973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).