[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea

C14H15N3O3 — CID 135648553

IUPAC[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1c(O)ccc2oc3c(c12)CCCC3
InChIInChI=1S/C14H15N3O3/c15-14(19)17-16-7-9-10(18)5-6-12-13(9)8-3-1-2-4-11(8)20-12/h5-7,18H,1-4H2,(H3,15,17,19)/b16-7+
InChIKeyIACRCBUETMKDJV-FRKPEAEDSA-N
MW273.29 g/mol
LogP2.02
Rot. Bonds2

About [(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea

[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea (PubChem CID 135648553) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is [(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea
PubChem CID135648553
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea
SMILESNC(=O)N/N=C/c1c(O)ccc2oc3c(c12)CCCC3
InChIInChI=1S/C14H15N3O3/c15-14(19)17-16-7-9-10(18)5-6-12-13(9)8-3-1-2-4-11(8)20-12/h5-7,18H,1-4H2,(H3,15,17,19)/b16-7+
InChIKeyIACRCBUETMKDJV-FRKPEAEDSA-N
XLogP2.02
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 [(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea?
The IUPAC name of [(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea (CID 135648553) is [(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea is NC(=O)N/N=C/c1c(O)ccc2oc3c(c12)CCCC3.
What is the InChIKey of [(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea?
The InChIKey is IACRCBUETMKDJV-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-14(19)17-16-7-9-10(18)5-6-12-13(9)8-3-1-2-4-11(8)20-12/h5-7,18H,1-4H2,(H3,15,17,19)/b16-7+.
What are the key properties of [(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea?
[(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea has a molecular weight of 273.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]urea is sourced from PubChem (CID 135648553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).