N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide

C12H19N3O2 — CID 167207564

IUPACN'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide
SMILESC=C1C=CC(=O)N1CCCCCC(=O)NNC
InChIInChI=1S/C12H19N3O2/c1-10-7-8-12(17)15(10)9-5-3-4-6-11(16)14-13-2/h7-8,13H,1,3-6,9H2,2H3,(H,14,16)
InChIKeyBXDUVUPZWYMAAD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds7

About N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide

N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide (PubChem CID 167207564) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide.

Molecular Properties

Compound NameN'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide
PubChem CID167207564
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide
SMILESC=C1C=CC(=O)N1CCCCCC(=O)NNC
InChIInChI=1S/C12H19N3O2/c1-10-7-8-12(17)15(10)9-5-3-4-6-11(16)14-13-2/h7-8,13H,1,3-6,9H2,2H3,(H,14,16)
InChIKeyBXDUVUPZWYMAAD-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide?
The IUPAC name of N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide (CID 167207564) is N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide.
What is the SMILES notation for N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide?
The canonical SMILES for N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide is C=C1C=CC(=O)N1CCCCCC(=O)NNC.
What is the InChIKey of N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide?
The InChIKey is BXDUVUPZWYMAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-7-8-12(17)15(10)9-5-3-4-6-11(16)14-13-2/h7-8,13H,1,3-6,9H2,2H3,(H,14,16).
What are the key properties of N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide?
N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide has a molecular weight of 237.30 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-6-(2-methylidene-5-oxopyrrol-1-yl)hexanehydrazide is sourced from PubChem (CID 167207564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).