1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one

C15H20N2O2 — CID 43608552

IUPAC1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NC1CCOCC1
InChIInChI=1S/C15H20N2O2/c18-15-6-3-9-17(15)14-5-2-1-4-13(14)16-12-7-10-19-11-8-12/h1-2,4-5,12,16H,3,6-11H2
InChIKeyGODUTEJQXBHXBI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.40
Rot. Bonds3

About 1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one

1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one (PubChem CID 43608552) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one
PubChem CID43608552
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NC1CCOCC1
InChIInChI=1S/C15H20N2O2/c18-15-6-3-9-17(15)14-5-2-1-4-13(14)16-12-7-10-19-11-8-12/h1-2,4-5,12,16H,3,6-11H2
InChIKeyGODUTEJQXBHXBI-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one
CID 63331370
1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115928567
(3R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]oxolane-3-carboxamide
CID 95272394
1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 43107337
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
1-[4-(oxepan-4-ylamino)phenyl]pyrrolidin-2-one
CID 65081475
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
N-(2-morpholin-4-ylphenyl)oxolan-3-amine
CID 63335851
1-[2-(oxan-4-ylamino)phenyl]piperidine-4-carboxamide
CID 86784089
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033
N-(2-pyrazol-1-ylphenyl)oxan-4-amine
CID 43705664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one (CID 43608552) is 1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccccc1NC1CCOCC1.
What is the InChIKey of 1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one?
The InChIKey is GODUTEJQXBHXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15-6-3-9-17(15)14-5-2-1-4-13(14)16-12-7-10-19-11-8-12/h1-2,4-5,12,16H,3,6-11H2.
What are the key properties of 1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one?
1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43608552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).