[(Z)-(1-ethylindol-3-yl)methylideneamino]urea

C12H14N4O — CID 71670103

IUPAC[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
SMILESCCn1cc(/C=N\NC(N)=O)c2ccccc21
InChIInChI=1S/C12H14N4O/c1-2-16-8-9(7-14-15-12(13)17)10-5-3-4-6-11(10)16/h3-8H,2H2,1H3,(H3,13,15,17)/b14-7-
InChIKeyHBQYYDWZZJTAAC-AUWJEWJLSA-N
MW230.27 g/mol
LogP1.66
Rot. Bonds3

About [(Z)-(1-ethylindol-3-yl)methylideneamino]urea

[(Z)-(1-ethylindol-3-yl)methylideneamino]urea (PubChem CID 71670103) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is [(Z)-(1-ethylindol-3-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
PubChem CID71670103
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
SMILESCCn1cc(/C=N\NC(N)=O)c2ccccc21
InChIInChI=1S/C12H14N4O/c1-2-16-8-9(7-14-15-12(13)17)10-5-3-4-6-11(10)16/h3-8H,2H2,1H3,(H3,13,15,17)/b14-7-
InChIKeyHBQYYDWZZJTAAC-AUWJEWJLSA-N
XLogP1.66
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-ethylindol-3-yl)methylideneamino]urea?
The IUPAC name of [(Z)-(1-ethylindol-3-yl)methylideneamino]urea (CID 71670103) is [(Z)-(1-ethylindol-3-yl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(1-ethylindol-3-yl)methylideneamino]urea?
The canonical SMILES for [(Z)-(1-ethylindol-3-yl)methylideneamino]urea is CCn1cc(/C=N\NC(N)=O)c2ccccc21.
What is the InChIKey of [(Z)-(1-ethylindol-3-yl)methylideneamino]urea?
The InChIKey is HBQYYDWZZJTAAC-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-16-8-9(7-14-15-12(13)17)10-5-3-4-6-11(10)16/h3-8H,2H2,1H3,(H3,13,15,17)/b14-7-.
What are the key properties of [(Z)-(1-ethylindol-3-yl)methylideneamino]urea?
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea has a molecular weight of 230.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-ethylindol-3-yl)methylideneamino]urea is sourced from PubChem (CID 71670103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).