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

C13H17N3O — CID 12764869

IUPACN'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
SMILESCC(=O)NNC1=NC(Cc2ccccc2)CC1
InChIInChI=1S/C13H17N3O/c1-10(17)15-16-13-8-7-12(14-13)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyHHTCDUMYBPFIOW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.43
Rot. Bonds2

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

N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide (PubChem CID 12764869) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
PubChem CID12764869
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide
SMILESCC(=O)NNC1=NC(Cc2ccccc2)CC1
InChIInChI=1S/C13H17N3O/c1-10(17)15-16-13-8-7-12(14-13)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyHHTCDUMYBPFIOW-UHFFFAOYSA-N
XLogP1.43
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
The IUPAC name of N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide (CID 12764869) is N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide.
What is the SMILES notation for N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
The canonical SMILES for N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide is CC(=O)NNC1=NC(Cc2ccccc2)CC1.
What is the InChIKey of N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
The InChIKey is HHTCDUMYBPFIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(17)15-16-13-8-7-12(14-13)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide?
N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide has a molecular weight of 231.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzyl-3,4-dihydro-2H-pyrrol-5-yl)acetohydrazide is sourced from PubChem (CID 12764869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).