3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

C17H15N3O5 — CID 121159764

IUPAC3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1cc2ccccc2oc1=O)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C17H15N3O5/c21-14-8-18-17(24)20(14)11-5-6-19(9-11)15(22)12-7-10-3-1-2-4-13(10)25-16(12)23/h1-4,7,11H,5-6,8-9H2,(H,18,24)
InChIKeyKRDNRTUIHUHTRJ-UHFFFAOYSA-N
MW341.32 g/mol
LogP0.56
Rot. Bonds2

About 3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159764) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159764
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(c1cc2ccccc2oc1=O)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C17H15N3O5/c21-14-8-18-17(24)20(14)11-5-6-19(9-11)15(22)12-7-10-3-1-2-4-13(10)25-16(12)23/h1-4,7,11H,5-6,8-9H2,(H,18,24)
InChIKeyKRDNRTUIHUHTRJ-UHFFFAOYSA-N
XLogP0.56
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160201
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
3-[1-(4-oxochromene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159763
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 62372877
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
CID 86853717
3-[3-(4-phenyltriazol-1-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 86264912
3-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 95596933
3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)chromen-2-one;hydrochloride
CID 119999362
3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159693
3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
CID 16894693

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159764) is 3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C(c1cc2ccccc2oc1=O)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is KRDNRTUIHUHTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c21-14-8-18-17(24)20(14)11-5-6-19(9-11)15(22)12-7-10-3-1-2-4-13(10)25-16(12)23/h1-4,7,11H,5-6,8-9H2,(H,18,24).
What are the key properties of 3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 341.32 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-oxochromene-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).