2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide

C15H17N3O — CID 6092164

IUPAC2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1cccn1C)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-12(13-7-4-3-5-8-13)16-17-15(19)11-14-9-6-10-18(14)2/h3-10H,11H2,1-2H3,(H,17,19)/b16-12-
InChIKeyNTQCTYCJCWZCGI-VBKFSLOCSA-N
MW255.32 g/mol
LogP2.11
Rot. Bonds4

About 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide

2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide (PubChem CID 6092164) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide
PubChem CID6092164
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1cccn1C)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-12(13-7-4-3-5-8-13)16-17-15(19)11-14-9-6-10-18(14)2/h3-10H,11H2,1-2H3,(H,17,19)/b16-12-
InChIKeyNTQCTYCJCWZCGI-VBKFSLOCSA-N
XLogP2.11
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Senazodan
CID 123942
N-[(E)-(4-methylphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 5938473
Benzoic acid pyridin-2-ylmethylene-hydrazide
CID 5333835
2-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 5335659
Isonicotinic acid (1-phenyl-ethylidene)-hydrazide
CID 5411370
4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
CID 5720743
4-(dimethylamino)-N'-[(E)-pyridin-2-ylmethylidene]benzohydrazide
CID 6896850
2-(1H-pyrrol-1-yl)benzohydrazide
CID 727889
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6886357
2-(1-methyl-1H-pyrrol-2-yl)-N'-[(1Z)-1-(naphthalen-2-yl)ethylidene]acetohydrazide
CID 7412007
6-(4-methylphenyl)-4-(2-pyridinylmethyl)-3(2H)-pyridazinone
CID 2811840
2-(3-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5424632

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide (CID 6092164) is 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide is C/C(=N/NC(=O)Cc1cccn1C)c1ccccc1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide?
The InChIKey is NTQCTYCJCWZCGI-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12(13-7-4-3-5-8-13)16-17-15(19)11-14-9-6-10-18(14)2/h3-10H,11H2,1-2H3,(H,17,19)/b16-12-.
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide?
2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-[(Z)-1-phenylethylideneamino]acetamide is sourced from PubChem (CID 6092164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).