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

C11H12N4O — CID 5407269

IUPAC[(Z)-(1-methylindol-3-yl)methylideneamino]urea
SMILESCn1cc(/C=N\NC(N)=O)c2ccccc21
InChIInChI=1S/C11H12N4O/c1-15-7-8(6-13-14-11(12)16)9-4-2-3-5-10(9)15/h2-7H,1H3,(H3,12,14,16)/b13-6-
InChIKeyXCLVIUURVQDJLE-MLPAPPSSSA-N
MW216.24 g/mol
LogP1.18
Rot. Bonds2

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

[(Z)-(1-methylindol-3-yl)methylideneamino]urea (PubChem CID 5407269) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is [(Z)-(1-methylindol-3-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(1-methylindol-3-yl)methylideneamino]urea
PubChem CID5407269
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name[(Z)-(1-methylindol-3-yl)methylideneamino]urea
SMILESCn1cc(/C=N\NC(N)=O)c2ccccc21
InChIInChI=1S/C11H12N4O/c1-15-7-8(6-13-14-11(12)16)9-4-2-3-5-10(9)15/h2-7H,1H3,(H3,12,14,16)/b13-6-
InChIKeyXCLVIUURVQDJLE-MLPAPPSSSA-N
XLogP1.18
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.18
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)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
4-iodo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 53371356
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110515655
2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 110524912
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706
2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 126182020
2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5393275
2-(4-fluoroanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5416866
N-[(E)-(1-methylindol-3-yl)methylideneamino]benzenesulfonamide
CID 23476860
[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
CID 126388460
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6865589

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-methylindol-3-yl)methylideneamino]urea?
The IUPAC name of [(Z)-(1-methylindol-3-yl)methylideneamino]urea (CID 5407269) is [(Z)-(1-methylindol-3-yl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(1-methylindol-3-yl)methylideneamino]urea?
The canonical SMILES for [(Z)-(1-methylindol-3-yl)methylideneamino]urea is Cn1cc(/C=N\NC(N)=O)c2ccccc21.
What is the InChIKey of [(Z)-(1-methylindol-3-yl)methylideneamino]urea?
The InChIKey is XCLVIUURVQDJLE-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-7-8(6-13-14-11(12)16)9-4-2-3-5-10(9)15/h2-7H,1H3,(H3,12,14,16)/b13-6-.
What are the key properties of [(Z)-(1-methylindol-3-yl)methylideneamino]urea?
[(Z)-(1-methylindol-3-yl)methylideneamino]urea has a molecular weight of 216.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-methylindol-3-yl)methylideneamino]urea is sourced from PubChem (CID 5407269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).