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

C14H20N4O — CID 2317621

IUPACN'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide
SMILESCc1ccc(NCC(=O)NNC2=NCCC2)c(C)c1
InChIInChI=1S/C14H20N4O/c1-10-5-6-12(11(2)8-10)16-9-14(19)18-17-13-4-3-7-15-13/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyABXZTWPCJUMGCN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.53
Rot. Bonds3

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

N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide (PubChem CID 2317621) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide
PubChem CID2317621
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide
SMILESCc1ccc(NCC(=O)NNC2=NCCC2)c(C)c1
InChIInChI=1S/C14H20N4O/c1-10-5-6-12(11(2)8-10)16-9-14(19)18-17-13-4-3-7-15-13/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyABXZTWPCJUMGCN-UHFFFAOYSA-N
XLogP1.53
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide?
The IUPAC name of N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide (CID 2317621) is N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide.
What is the SMILES notation for N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide?
The canonical SMILES for N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide is Cc1ccc(NCC(=O)NNC2=NCCC2)c(C)c1.
What is the InChIKey of N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide?
The InChIKey is ABXZTWPCJUMGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-5-6-12(11(2)8-10)16-9-14(19)18-17-13-4-3-7-15-13/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide?
N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide has a molecular weight of 260.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2,4-dimethylanilino)acetohydrazide is sourced from PubChem (CID 2317621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).