1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea

C14H15N3O4 — CID 10946155

IUPAC1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea
SMILESCC(C)c1ccc2occ(/C=N/NC(=O)NO)c(=O)c2c1
InChIInChI=1S/C14H15N3O4/c1-8(2)9-3-4-12-11(5-9)13(18)10(7-21-12)6-15-16-14(19)17-20/h3-8,20H,1-2H3,(H2,16,17,19)/b15-6+
InChIKeyNVHGWZYXKYGIPR-GIDUJCDVSA-N
MW289.29 g/mol
LogP1.94
Rot. Bonds3

About 1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea

1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea (PubChem CID 10946155) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea
PubChem CID10946155
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea
SMILESCC(C)c1ccc2occ(/C=N/NC(=O)NO)c(=O)c2c1
InChIInChI=1S/C14H15N3O4/c1-8(2)9-3-4-12-11(5-9)13(18)10(7-21-12)6-15-16-14(19)17-20/h3-8,20H,1-2H3,(H2,16,17,19)/b15-6+
InChIKeyNVHGWZYXKYGIPR-GIDUJCDVSA-N
XLogP1.94
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea?
The IUPAC name of 1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea (CID 10946155) is 1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea.
What is the SMILES notation for 1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea?
The canonical SMILES for 1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea is CC(C)c1ccc2occ(/C=N/NC(=O)NO)c(=O)c2c1.
What is the InChIKey of 1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea?
The InChIKey is NVHGWZYXKYGIPR-GIDUJCDVSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8(2)9-3-4-12-11(5-9)13(18)10(7-21-12)6-15-16-14(19)17-20/h3-8,20H,1-2H3,(H2,16,17,19)/b15-6+.
What are the key properties of 1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea?
1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea has a molecular weight of 289.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(E)-(4-oxo-6-propan-2-ylchromen-3-yl)methylideneamino]urea is sourced from PubChem (CID 10946155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).