2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide

C12H16N4O — CID 2311059

IUPAC2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
SMILESO=C(CNc1ccccc1)NNC1=NCCC1
InChIInChI=1S/C12H16N4O/c17-12(16-15-11-7-4-8-13-11)9-14-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H,13,15)(H,16,17)
InChIKeyXTNZCJYQMATSAZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.91
Rot. Bonds3

About 2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide

2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide (PubChem CID 2311059) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide.

Molecular Properties

Compound Name2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
PubChem CID2311059
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
SMILESO=C(CNc1ccccc1)NNC1=NCCC1
InChIInChI=1S/C12H16N4O/c17-12(16-15-11-7-4-8-13-11)9-14-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H,13,15)(H,16,17)
InChIKeyXTNZCJYQMATSAZ-UHFFFAOYSA-N
XLogP0.91
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Hydrazinylquinoxalin-2-ol
CID 693318
Phenylaminoacetohydrazide
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2-[(2-Fluorophenyl)amino]acetohydrazide
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N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide
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N'-(1,2-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)acetohydrazide
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2-[(4-Fluorophenyl)amino]acetohydrazide
CID 302634
2-(4-bromoanilino)-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
CID 2316407
2-(3-Iodoanilino)acetohydrazide
CID 302667
5-(anilinomethyl)-4H-1,2,4-triazole-3-thiol
CID 856396
2-anilino-N-(cyclopentylideneamino)acetamide
CID 5219166
2-(4-Phenylpiperazin-1-yl)acetohydrazide
CID 12417948
2-(2,4-Difluoroanilino)acetohydrazide
CID 302630

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
The IUPAC name of 2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide (CID 2311059) is 2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide.
What is the SMILES notation for 2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
The canonical SMILES for 2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide is O=C(CNc1ccccc1)NNC1=NCCC1.
What is the InChIKey of 2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
The InChIKey is XTNZCJYQMATSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12(16-15-11-7-4-8-13-11)9-14-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H,13,15)(H,16,17).
What are the key properties of 2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide has a molecular weight of 232.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N'-(3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide is sourced from PubChem (CID 2311059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).