[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea

C14H12N4O2 — CID 11311693

IUPAC[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea
SMILESNC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C14H12N4O2/c15-14(20)17-9-3-4-12-10(7-9)11(13(19)18-12)6-8-2-1-5-16-8/h1-7,16H,(H,18,19)(H3,15,17,20)/b11-6-
InChIKeySOVOJYOIAXOTIM-WDZFZDKYSA-N
MW268.28 g/mol
LogP2.00
Rot. Bonds2

About [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea

[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea (PubChem CID 11311693) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea.

Molecular Properties

Compound Name[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea
PubChem CID11311693
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea
SMILESNC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C14H12N4O2/c15-14(20)17-9-3-4-12-10(7-9)11(13(19)18-12)6-8-2-1-5-16-8/h1-7,16H,(H,18,19)(H3,15,17,20)/b11-6-
InChIKeySOVOJYOIAXOTIM-WDZFZDKYSA-N
XLogP2.00
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indole-3-acetamide
CID 397
Semaxinib
CID 123015
Pf-06840003
CID 23063810
Semaxanib
CID 5329098
Arcyriarubin A
CID 2399
Gnf-5837
CID 59397065
N-(1H-indol-5-yl)benzamide
CID 2814138
4-fluoro-N-(1H-indol-5-yl)benzamide
CID 2814506
N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-5-yl]acetamide
CID 11323104
1H-indole-4-carboxamide
CID 594836
1H-Indole-6-carboxamide
CID 594837
(3Z)-5-fluoro-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indol-2-one
CID 5331099

Frequently Asked Questions

What is the IUPAC name of [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea?
The IUPAC name of [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea (CID 11311693) is [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea.
What is the SMILES notation for [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea?
The canonical SMILES for [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea is NC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2.
What is the InChIKey of [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea?
The InChIKey is SOVOJYOIAXOTIM-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-14(20)17-9-3-4-12-10(7-9)11(13(19)18-12)6-8-2-1-5-16-8/h1-7,16H,(H,18,19)(H3,15,17,20)/b11-6-.
What are the key properties of [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea?
[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea has a molecular weight of 268.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]urea is sourced from PubChem (CID 11311693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).