(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide

C15H12N4O2 — CID 273467

IUPAC1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylurea
SMILESC1=CC=C(C=C1)NC(=O)N=NC2=C(NC3=CC=CC=C32)O
InChIInChI=1S/C15H12N4O2/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9,17,20H,(H,16,21)
InChIKeyFIYNWSNQLJMQAK-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.40
Rot. Bonds2

About (2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide

(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide (PubChem CID 273467) has the molecular formula C15H12N4O2 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylurea.

Molecular Properties

Compound Name(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide
PubChem CID273467
Molecular FormulaC15H12N4O2
Molecular Weight280.28 g/mol
Exact Mass280.10
IUPAC Name1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylurea
SMILESC1=CC=C(C=C1)NC(=O)N=NC2=C(NC3=CC=CC=C32)O
InChIInChI=1S/C15H12N4O2/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9,17,20H,(H,16,21)
InChIKeyFIYNWSNQLJMQAK-UHFFFAOYSA-N
XLogP3.40
TPSA89.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity395

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Methisazone
CID 667492
1-(4-Methoxyphenyl)-3-[(2-oxo-3-indolyl)amino]thiourea
CID 947057
4-[N'-(2-Oxo-1,2-dihydro-indol-3-ylidene)-hydrazino]-benzoic acid
CID 5033943
1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
Oxindole-Based Inhibitor 17
CID 135434964
Oxindole-Based Inhibitor 41
CID 135434978
Oxindole-Based Inhibitor 42
CID 135434979
4-{2-[(3Z)-5-amino-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzene-1-sulfonamide hydrochloride
CID 135434982
Oxindole-Based Inhibitor 50
CID 135434984
Oxindole-Based Inhibitor 51
CID 135434985
Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
CID 690109

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide?
The IUPAC name of (2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide (CID 273467) is 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylurea.
What is the SMILES notation for (2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide?
The canonical SMILES for (2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide is C1=CC=C(C=C1)NC(=O)N=NC2=C(NC3=CC=CC=C32)O.
What is the InChIKey of (2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide?
The InChIKey is FIYNWSNQLJMQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9,17,20H,(H,16,21).
What are the key properties of (2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide?
(2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide has a molecular weight of 280.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-phenylhydrazinecarboxamide is sourced from PubChem (CID 273467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).