[3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea

C12H10N2O4 — CID 18957760

IUPAC[3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea
SMILESNC(=O)Nc1cccc(-c2cc(=O)c(O)co2)c1
InChIInChI=1S/C12H10N2O4/c13-12(17)14-8-3-1-2-7(4-8)11-5-9(15)10(16)6-18-11/h1-6,16H,(H3,13,14,17)
InChIKeyIDKVLRYARSOFSM-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.50
Rot. Bonds2

About [3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea

[3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea (PubChem CID 18957760) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is [3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea.

Molecular Properties

Compound Name[3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea
PubChem CID18957760
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name[3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea
SMILESNC(=O)Nc1cccc(-c2cc(=O)c(O)co2)c1
InChIInChI=1S/C12H10N2O4/c13-12(17)14-8-3-1-2-7(4-8)11-5-9(15)10(16)6-18-11/h1-6,16H,(H3,13,14,17)
InChIKeyIDKVLRYARSOFSM-UHFFFAOYSA-N
XLogP1.50
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(aminomethyl)phenyl]phenyl]urea
CID 141415129
[3-(4-formylphenyl)phenyl]urea
CID 141415136
[3-(chloroamino)phenyl]urea
CID 155328094
[3-(methylamino)phenyl]urea
CID 23558981
[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea
CID 171471574
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546
[3-(carbamoylamino)phenyl]sulfinylurea
CID 143834498
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
methyl 3-(carbamoylamino)benzoate
CID 2822841
6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide
CID 61130491
molecular hydrogen;phenylurea
CID 143657584

Frequently Asked Questions

What is the IUPAC name of [3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea?
The IUPAC name of [3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea (CID 18957760) is [3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea.
What is the SMILES notation for [3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea?
The canonical SMILES for [3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea is NC(=O)Nc1cccc(-c2cc(=O)c(O)co2)c1.
What is the InChIKey of [3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea?
The InChIKey is IDKVLRYARSOFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c13-12(17)14-8-3-1-2-7(4-8)11-5-9(15)10(16)6-18-11/h1-6,16H,(H3,13,14,17).
What are the key properties of [3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea?
[3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea has a molecular weight of 246.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-hydroxy-4-oxopyran-2-yl)phenyl]urea is sourced from PubChem (CID 18957760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).