(1-benzofuran-3-ylmethylideneamino)urea

C10H9N3O2 — CID 165348441

IUPAC(1-benzofuran-3-ylmethylideneamino)urea
SMILESNC(=O)NN=Cc1coc2ccccc12
InChIInChI=1S/C10H9N3O2/c11-10(14)13-12-5-7-6-15-9-4-2-1-3-8(7)9/h1-6H,(H3,11,13,14)
InChIKeyIDJRZBMALFXRBW-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.43
Rot. Bonds2

About (1-benzofuran-3-ylmethylideneamino)urea

(1-benzofuran-3-ylmethylideneamino)urea (PubChem CID 165348441) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is (1-benzofuran-3-ylmethylideneamino)urea.

Molecular Properties

Compound Name(1-benzofuran-3-ylmethylideneamino)urea
PubChem CID165348441
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name(1-benzofuran-3-ylmethylideneamino)urea
SMILESNC(=O)NN=Cc1coc2ccccc12
InChIInChI=1S/C10H9N3O2/c11-10(14)13-12-5-7-6-15-9-4-2-1-3-8(7)9/h1-6H,(H3,11,13,14)
InChIKeyIDJRZBMALFXRBW-UHFFFAOYSA-N
XLogP1.43
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(Z)-(4-oxochromen-3-yl)methylideneamino]urea
CID 5395362
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]urea
CID 6887527
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[(E)-(6-methoxy-4-oxochromen-3-yl)methylideneamino]urea
CID 6878010
2-bromo-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 999899
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-2-carboxamide
CID 177472748
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
[(E)-benzylideneamino]urea
CID 6861419
[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620
N-[(4-oxochromen-3-yl)methylideneamino]isoquinoline-1-carboxamide
CID 175293319
N-(4-methoxyphenyl)-N'-[(E)-(4-oxochromen-3-yl)methylideneamino]oxamide
CID 51060763

Frequently Asked Questions

What is the IUPAC name of (1-benzofuran-3-ylmethylideneamino)urea?
The IUPAC name of (1-benzofuran-3-ylmethylideneamino)urea (CID 165348441) is (1-benzofuran-3-ylmethylideneamino)urea.
What is the SMILES notation for (1-benzofuran-3-ylmethylideneamino)urea?
The canonical SMILES for (1-benzofuran-3-ylmethylideneamino)urea is NC(=O)NN=Cc1coc2ccccc12.
What is the InChIKey of (1-benzofuran-3-ylmethylideneamino)urea?
The InChIKey is IDJRZBMALFXRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-10(14)13-12-5-7-6-15-9-4-2-1-3-8(7)9/h1-6H,(H3,11,13,14).
What are the key properties of (1-benzofuran-3-ylmethylideneamino)urea?
(1-benzofuran-3-ylmethylideneamino)urea has a molecular weight of 203.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzofuran-3-ylmethylideneamino)urea is sourced from PubChem (CID 165348441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).