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

C15H13N3O2 — CID 11323104

IUPACN-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C15H13N3O2/c1-9(19)17-11-4-5-14-12(8-11)13(15(20)18-14)7-10-3-2-6-16-10/h2-8,16H,1H3,(H,17,19)(H,18,20)/b13-7-
InChIKeyKZJSFIXQWRHEAE-QPEQYQDCSA-N
MW267.29 g/mol
LogP2.47
Rot. Bonds2

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

N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide (PubChem CID 11323104) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide
PubChem CID11323104
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C15H13N3O2/c1-9(19)17-11-4-5-14-12(8-11)13(15(20)18-14)7-10-3-2-6-16-10/h2-8,16H,1H3,(H,17,19)(H,18,20)/b13-7-
InChIKeyKZJSFIXQWRHEAE-QPEQYQDCSA-N
XLogP2.47
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide?
The IUPAC name of N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide (CID 11323104) is N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide.
What is the SMILES notation for N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide?
The canonical SMILES for N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2.
What is the InChIKey of N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide?
The InChIKey is KZJSFIXQWRHEAE-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9(19)17-11-4-5-14-12(8-11)13(15(20)18-14)7-10-3-2-6-16-10/h2-8,16H,1H3,(H,17,19)(H,18,20)/b13-7-.
What are the key properties of N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide?
N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl]acetamide is sourced from PubChem (CID 11323104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).