1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one

C14H18N2O2 — CID 63331370

IUPAC1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NC1CCOC1
InChIInChI=1S/C14H18N2O2/c17-14-6-3-8-16(14)13-5-2-1-4-12(13)15-11-7-9-18-10-11/h1-2,4-5,11,15H,3,6-10H2
InChIKeyXTAKUUMDDBYOTH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.01
Rot. Bonds3

About 1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one

1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one (PubChem CID 63331370) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one
PubChem CID63331370
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NC1CCOC1
InChIInChI=1S/C14H18N2O2/c17-14-6-3-8-16(14)13-5-2-1-4-12(13)15-11-7-9-18-10-11/h1-2,4-5,11,15H,3,6-10H2
InChIKeyXTAKUUMDDBYOTH-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one (CID 63331370) is 1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccccc1NC1CCOC1.
What is the InChIKey of 1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one?
The InChIKey is XTAKUUMDDBYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14-6-3-8-16(14)13-5-2-1-4-12(13)15-11-7-9-18-10-11/h1-2,4-5,11,15H,3,6-10H2.
What are the key properties of 1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one?
1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 63331370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).