1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one

C19H23ClN2O4 — CID 4573988

IUPAC1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H23ClN2O4/c20-15-4-2-1-3-14(15)13-22-16(5-6-17(22)23)18(24)21-9-7-19(8-10-21)25-11-12-26-19/h1-4,16H,5-13H2
InChIKeyODVBEUXAOPJQSB-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.20
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one

1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one (PubChem CID 4573988) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
PubChem CID4573988
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H23ClN2O4/c20-15-4-2-1-3-14(15)13-22-16(5-6-17(22)23)18(24)21-9-7-19(8-10-21)25-11-12-26-19/h1-4,16H,5-13H2
InChIKeyODVBEUXAOPJQSB-UHFFFAOYSA-N
XLogP2.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one (CID 4573988) is 1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one is O=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
The InChIKey is ODVBEUXAOPJQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c20-15-4-2-1-3-14(15)13-22-16(5-6-17(22)23)18(24)21-9-7-19(8-10-21)25-11-12-26-19/h1-4,16H,5-13H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one?
1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one has a molecular weight of 378.86 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 4573988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).