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4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one

C21H28N2O4 — CID 113185301

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC3(CC2)OCCO3)CN1CCCc1ccccc1
InChIInChI=1S/C21H28N2O4/c24-19-15-18(16-23(19)10-4-7-17-5-2-1-3-6-17)20(25)22-11-8-21(9-12-22)26-13-14-27-21/h1-3,5-6,18H,4,7-16H2
InChIKeyRBBPTDBZNLSHDY-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.83
Rot. Bonds5

About 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one (PubChem CID 113185301) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
PubChem CID113185301
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC3(CC2)OCCO3)CN1CCCc1ccccc1
InChIInChI=1S/C21H28N2O4/c24-19-15-18(16-23(19)10-4-7-17-5-2-1-3-6-17)20(25)22-11-8-21(9-12-22)26-13-14-27-21/h1-3,5-6,18H,4,7-16H2
InChIKeyRBBPTDBZNLSHDY-UHFFFAOYSA-N
XLogP1.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one (CID 113185301) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCC3(CC2)OCCO3)CN1CCCc1ccccc1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is RBBPTDBZNLSHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c24-19-15-18(16-23(19)10-4-7-17-5-2-1-3-6-17)20(25)22-11-8-21(9-12-22)26-13-14-27-21/h1-3,5-6,18H,4,7-16H2.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one has a molecular weight of 372.47 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 113185301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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