1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one

C9H15NO3 — CID 155126020

IUPAC1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC1COCCO1
InChIInChI=1S/C9H15NO3/c11-9-2-1-3-10(9)6-8-7-12-4-5-13-8/h8H,1-7H2
InChIKeyGDVHCZMZCDSDNA-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.02
Rot. Bonds2

About 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one

1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 155126020) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one
PubChem CID155126020
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC1COCCO1
InChIInChI=1S/C9H15NO3/c11-9-2-1-3-10(9)6-8-7-12-4-5-13-8/h8H,1-7H2
InChIKeyGDVHCZMZCDSDNA-UHFFFAOYSA-N
XLogP0.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one (CID 155126020) is 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one is O=C1CCCN1CC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is GDVHCZMZCDSDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-9-2-1-3-10(9)6-8-7-12-4-5-13-8/h8H,1-7H2.
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one?
1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 155126020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).