1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea

C17H15N3O2 — CID 10108445

IUPAC1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea
SMILESCc1c2ccccc2c(/C=N/NC(=O)NO)c2ccccc12
InChIInChI=1S/C17H15N3O2/c1-11-12-6-2-4-8-14(12)16(10-18-19-17(21)20-22)15-9-5-3-7-13(11)15/h2-10,22H,1H3,(H2,19,20,21)/b18-10+
InChIKeyKWPGVLHMBOESPK-VCHYOVAHSA-N
MW293.33 g/mol
LogP3.32
Rot. Bonds2

About 1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea

1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea (PubChem CID 10108445) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea
PubChem CID10108445
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea
SMILESCc1c2ccccc2c(/C=N/NC(=O)NO)c2ccccc12
InChIInChI=1S/C17H15N3O2/c1-11-12-6-2-4-8-14(12)16(10-18-19-17(21)20-22)15-9-5-3-7-13(11)15/h2-10,22H,1H3,(H2,19,20,21)/b18-10+
InChIKeyKWPGVLHMBOESPK-VCHYOVAHSA-N
XLogP3.32
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea?
The IUPAC name of 1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea (CID 10108445) is 1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea.
What is the SMILES notation for 1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea?
The canonical SMILES for 1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea is Cc1c2ccccc2c(/C=N/NC(=O)NO)c2ccccc12.
What is the InChIKey of 1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea?
The InChIKey is KWPGVLHMBOESPK-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-12-6-2-4-8-14(12)16(10-18-19-17(21)20-22)15-9-5-3-7-13(11)15/h2-10,22H,1H3,(H2,19,20,21)/b18-10+.
What are the key properties of 1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea?
1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea has a molecular weight of 293.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(E)-(10-methylanthracen-9-yl)methylideneamino]urea is sourced from PubChem (CID 10108445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).