[(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea

C12H14N4O3 — CID 30224379

IUPAC[(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea
SMILESC/C(C[C@@]1(O)C(=O)Nc2ccccc21)=N/NC(N)=O
InChIInChI=1S/C12H14N4O3/c1-7(15-16-11(13)18)6-12(19)8-4-2-3-5-9(8)14-10(12)17/h2-5,19H,6H2,1H3,(H,14,17)(H3,13,16,18)/b15-7-/t12-/m0/s1
InChIKeyMWQXRZDDPBUXLW-CUTJPZLCSA-N
MW262.27 g/mol
LogP0.26
Rot. Bonds3

About [(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea

[(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea (PubChem CID 30224379) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is [(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea
PubChem CID30224379
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name[(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea
SMILESC/C(C[C@@]1(O)C(=O)Nc2ccccc21)=N/NC(N)=O
InChIInChI=1S/C12H14N4O3/c1-7(15-16-11(13)18)6-12(19)8-4-2-3-5-9(8)14-10(12)17/h2-5,19H,6H2,1H3,(H,14,17)(H3,13,16,18)/b15-7-/t12-/m0/s1
InChIKeyMWQXRZDDPBUXLW-CUTJPZLCSA-N
XLogP0.26
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.26
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea?
The IUPAC name of [(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea (CID 30224379) is [(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea.
What is the SMILES notation for [(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea?
The canonical SMILES for [(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea is C/C(C[C@@]1(O)C(=O)Nc2ccccc21)=N/NC(N)=O.
What is the InChIKey of [(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea?
The InChIKey is MWQXRZDDPBUXLW-CUTJPZLCSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7(15-16-11(13)18)6-12(19)8-4-2-3-5-9(8)14-10(12)17/h2-5,19H,6H2,1H3,(H,14,17)(H3,13,16,18)/b15-7-/t12-/m0/s1.
What are the key properties of [(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea?
[(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea has a molecular weight of 262.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea is sourced from PubChem (CID 30224379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).