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

C19H21N3O — CID 12951899

IUPACN'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide
SMILESCCC(=O)N(c1ccccc1)N(C1=NCCC1)c1ccccc1
InChIInChI=1S/C19H21N3O/c1-2-19(23)22(17-12-7-4-8-13-17)21(18-14-9-15-20-18)16-10-5-3-6-11-16/h3-8,10-13H,2,9,14-15H2,1H3
InChIKeyHBRXQWSCRMEVSJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.04
Rot. Bonds3

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

N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide (PubChem CID 12951899) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide
PubChem CID12951899
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide
SMILESCCC(=O)N(c1ccccc1)N(C1=NCCC1)c1ccccc1
InChIInChI=1S/C19H21N3O/c1-2-19(23)22(17-12-7-4-8-13-17)21(18-14-9-15-20-18)16-10-5-3-6-11-16/h3-8,10-13H,2,9,14-15H2,1H3
InChIKeyHBRXQWSCRMEVSJ-UHFFFAOYSA-N
XLogP4.04
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
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'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide?
The IUPAC name of N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide (CID 12951899) is N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide?
The canonical SMILES for N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide is CCC(=O)N(c1ccccc1)N(C1=NCCC1)c1ccccc1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide?
The InChIKey is HBRXQWSCRMEVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-19(23)22(17-12-7-4-8-13-17)21(18-14-9-15-20-18)16-10-5-3-6-11-16/h3-8,10-13H,2,9,14-15H2,1H3.
What are the key properties of N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide?
N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide has a molecular weight of 307.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyrrol-5-yl)-N,N'-diphenylpropanehydrazide is sourced from PubChem (CID 12951899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).