[(Z)-(4-oxochromen-3-yl)methylideneamino]urea

C11H9N3O3 — CID 5395362

IUPAC[(Z)-(4-oxochromen-3-yl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1coc2ccccc2c1=O
InChIInChI=1S/C11H9N3O3/c12-11(16)14-13-5-7-6-17-9-4-2-1-3-8(9)10(7)15/h1-6H,(H3,12,14,16)/b13-5-
InChIKeyBKTAVDDGBRXHPK-ACAGNQJTSA-N
MW231.21 g/mol
LogP0.80
Rot. Bonds2

About [(Z)-(4-oxochromen-3-yl)methylideneamino]urea

[(Z)-(4-oxochromen-3-yl)methylideneamino]urea (PubChem CID 5395362) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is [(Z)-(4-oxochromen-3-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(4-oxochromen-3-yl)methylideneamino]urea
PubChem CID5395362
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name[(Z)-(4-oxochromen-3-yl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1coc2ccccc2c1=O
InChIInChI=1S/C11H9N3O3/c12-11(16)14-13-5-7-6-17-9-4-2-1-3-8(9)10(7)15/h1-6H,(H3,12,14,16)/b13-5-
InChIKeyBKTAVDDGBRXHPK-ACAGNQJTSA-N
XLogP0.80
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-benzofuran-3-ylmethylideneamino)urea
CID 165348441
[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]urea
CID 6887527
2-bromo-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 999899
[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]urea
CID 6878010
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide
CID 177472748
N-[(4-oxochromen-3-yl)methylideneamino]isoquinoline-1-carboxamide
CID 175293319
N-(4-methoxyphenyl)-N'-[(E)-(4-oxochromen-3-yl)methylideneamino]oxamide
CID 51060763
N-(2-methoxyphenyl)-N'-[(4-oxochromen-3-yl)methylideneamino]oxamide
CID 4563866
3-nitro-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 1085155
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
4-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
CID 172931261
5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide
CID 3269329

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-oxochromen-3-yl)methylideneamino]urea?
The IUPAC name of [(Z)-(4-oxochromen-3-yl)methylideneamino]urea (CID 5395362) is [(Z)-(4-oxochromen-3-yl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(4-oxochromen-3-yl)methylideneamino]urea?
The canonical SMILES for [(Z)-(4-oxochromen-3-yl)methylideneamino]urea is NC(=O)N/N=C\c1coc2ccccc2c1=O.
What is the InChIKey of [(Z)-(4-oxochromen-3-yl)methylideneamino]urea?
The InChIKey is BKTAVDDGBRXHPK-ACAGNQJTSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-11(16)14-13-5-7-6-17-9-4-2-1-3-8(9)10(7)15/h1-6H,(H3,12,14,16)/b13-5-.
What are the key properties of [(Z)-(4-oxochromen-3-yl)methylideneamino]urea?
[(Z)-(4-oxochromen-3-yl)methylideneamino]urea has a molecular weight of 231.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-oxochromen-3-yl)methylideneamino]urea is sourced from PubChem (CID 5395362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).