N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide

C17H17N3O3 — CID 11738453

IUPACN-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(=O)NCCO)[nH]c1/C=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C17H17N3O3/c1-10-8-15(17(23)18-6-7-21)19-14(10)9-12-11-4-2-3-5-13(11)20-16(12)22/h2-5,8-9,19,21H,6-7H2,1H3,(H,18,23)(H,20,22)/b12-9-
InChIKeyKKOKGEKHJVARGC-XFXZXTDPSA-N
MW311.34 g/mol
LogP1.54
Rot. Bonds4

About N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide

N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 11738453) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
PubChem CID11738453
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(=O)NCCO)[nH]c1/C=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C17H17N3O3/c1-10-8-15(17(23)18-6-7-21)19-14(10)9-12-11-4-2-3-5-13(11)20-16(12)22/h2-5,8-9,19,21H,6-7H2,1H3,(H,18,23)(H,20,22)/b12-9-
InChIKeyKKOKGEKHJVARGC-XFXZXTDPSA-N
XLogP1.54
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide (CID 11738453) is N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide is Cc1cc(C(=O)NCCO)[nH]c1/C=C1\C(=O)Nc2ccccc21.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is KKOKGEKHJVARGC-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-8-15(17(23)18-6-7-21)19-14(10)9-12-11-4-2-3-5-13(11)20-16(12)22/h2-5,8-9,19,21H,6-7H2,1H3,(H,18,23)(H,20,22)/b12-9-.
What are the key properties of N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 11738453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).