(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide

C14H11N3O2 — CID 23647618

IUPAC(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C14H11N3O2/c15-13(18)8-3-4-12-10(6-8)11(14(19)17-12)7-9-2-1-5-16-9/h1-7,16H,(H2,15,18)(H,17,19)/b11-7-
InChIKeyNHBOFPSPSSKHHA-XFFZJAGNSA-N
MW253.26 g/mol
LogP1.61
Rot. Bonds2

About (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide

(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide (PubChem CID 23647618) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide
PubChem CID23647618
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C14H11N3O2/c15-13(18)8-3-4-12-10(6-8)11(14(19)17-12)7-9-2-1-5-16-9/h1-7,16H,(H2,15,18)(H,17,19)/b11-7-
InChIKeyNHBOFPSPSSKHHA-XFFZJAGNSA-N
XLogP1.61
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Frovatriptan
CID 77992
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Indole-3-acetamide
CID 397
Semaxanib
CID 5329098
Indole-5-carboxamide
CID 14973220
Semaxinib
CID 123015
Pf-06840003
CID 23063810
CP-409092
CID 9839190
3-Acetylindole
CID 12802
1H-indole-3-carboxamide
CID 2192542
Slv-310
CID 9888211
Su5402
CID 5289418

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide?
The IUPAC name of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide (CID 23647618) is (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide.
What is the SMILES notation for (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide?
The canonical SMILES for (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide is NC(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2.
What is the InChIKey of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide?
The InChIKey is NHBOFPSPSSKHHA-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-13(18)8-3-4-12-10(6-8)11(14(19)17-12)7-9-2-1-5-16-9/h1-7,16H,(H2,15,18)(H,17,19)/b11-7-.
What are the key properties of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide?
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 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-indole-5-carboxamide is sourced from PubChem (CID 23647618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).