1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one

C19H25NO3 — CID 58917453

IUPAC1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccccc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C19H25NO3/c21-18-6-3-11-20(18)14-16-4-1-2-5-17(16)15-7-9-19(10-8-15)22-12-13-23-19/h1-2,4-5,15H,3,6-14H2
InChIKeyKGZFMBIKTYHRRK-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.21
Rot. Bonds3

About 1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one

1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 58917453) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID58917453
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccccc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C19H25NO3/c21-18-6-3-11-20(18)14-16-4-1-2-5-17(16)15-7-9-19(10-8-15)22-12-13-23-19/h1-2,4-5,15H,3,6-14H2
InChIKeyKGZFMBIKTYHRRK-UHFFFAOYSA-N
XLogP3.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one (CID 58917453) is 1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccccc1C1CCC2(CC1)OCCO2.
What is the InChIKey of 1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is KGZFMBIKTYHRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-18-6-3-11-20(18)14-16-4-1-2-5-17(16)15-7-9-19(10-8-15)22-12-13-23-19/h1-2,4-5,15H,3,6-14H2.
What are the key properties of 1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one?
1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 315.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 58917453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).