N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide

C15H10N4O2 — CID 53310267

IUPACN-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
InChIInChI=1S/C15H10N4O2/c1-2-14(20)18-9-3-4-13-11(5-9)12(15(21)19-13)6-10-7-16-8-17-10/h1,3-8H,(H,16,17)(H,18,20)(H,19,21)/b12-6-
InChIKeyIMKRRDCNKBSOFS-SDQBBNPISA-N
MW278.27 g/mol
LogP1.47
Rot. Bonds2

About N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide

N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide (PubChem CID 53310267) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide
PubChem CID53310267
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC NameN-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2
InChIInChI=1S/C15H10N4O2/c1-2-14(20)18-9-3-4-13-11(5-9)12(15(21)19-13)6-10-7-16-8-17-10/h1,3-8H,(H,16,17)(H,18,20)(H,19,21)/b12-6-
InChIKeyIMKRRDCNKBSOFS-SDQBBNPISA-N
XLogP1.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide 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

Xl-999
CID 10433653
3-(1H-imidazol-5-ylmethylene)-1,3-dihydro-2H-indol-2-one
CID 5714572
BX-517
CID 11161844
3-[(Z)-(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714570
(3Z)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714571
5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 11165629
[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-5-yl]urea
CID 11311693
N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide
CID 53262909
3-[(Z)-(2-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one
CID 5714575
(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 6419833
[(3Z)-3-{1-[4-(aminomethyl)-1H-pyrrol-2-yl]ethylidene}-2-oxo-2,3-dihydro-1H-indol-5-yl]urea
CID 11151075
2-amino-N-[(5-{1-[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]ethyl}-1H-pyrrol-3-yl)methyl]acetamide
CID 11383042

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide?
The IUPAC name of N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide (CID 53310267) is N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide.
What is the SMILES notation for N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide?
The canonical SMILES for N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide is C#CC(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2.
What is the InChIKey of N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide?
The InChIKey is IMKRRDCNKBSOFS-SDQBBNPISA-N. The full InChI is InChI=1S/C15H10N4O2/c1-2-14(20)18-9-3-4-13-11(5-9)12(15(21)19-13)6-10-7-16-8-17-10/h1,3-8H,(H,16,17)(H,18,20)(H,19,21)/b12-6-.
What are the key properties of N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide?
N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide has a molecular weight of 278.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]prop-2-ynamide is sourced from PubChem (CID 53310267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).