1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one

C20H18N2O4 — CID 8967437

IUPAC1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCc2cc(=O)oc3cc(O)ccc23)cc1
InChIInChI=1S/C20H18N2O4/c23-16-7-8-17-13(10-20(25)26-18(17)11-16)12-21-14-3-5-15(6-4-14)22-9-1-2-19(22)24/h3-8,10-11,21,23H,1-2,9,12H2
InChIKeyKRAUSLQQWIZAEN-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one

1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 8967437) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID8967437
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCc2cc(=O)oc3cc(O)ccc23)cc1
InChIInChI=1S/C20H18N2O4/c23-16-7-8-17-13(10-20(25)26-18(17)11-16)12-21-14-3-5-15(6-4-14)22-9-1-2-19(22)24/h3-8,10-11,21,23H,1-2,9,12H2
InChIKeyKRAUSLQQWIZAEN-UHFFFAOYSA-N
XLogP3.24
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(7-bromo-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 78827001
(7-hydroxy-2-oxochromen-4-yl)methyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667807
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
CID 174862975
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
4-[[4-(methylsulfonylmethyl)anilino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 71882763
4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one
CID 25146135
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one (CID 8967437) is 1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(NCc2cc(=O)oc3cc(O)ccc23)cc1.
What is the InChIKey of 1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is KRAUSLQQWIZAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-16-7-8-17-13(10-20(25)26-18(17)11-16)12-21-14-3-5-15(6-4-14)22-9-1-2-19(22)24/h3-8,10-11,21,23H,1-2,9,12H2.
What are the key properties of 1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one?
1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 350.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(7-hydroxy-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 8967437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).