11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide

C16H27N3O2 — CID 89220659

IUPAC11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide
SMILESC=C1C=CC(=O)N1CCCCCCCCCCC(=O)NN
InChIInChI=1S/C16H27N3O2/c1-14-11-12-16(21)19(14)13-9-7-5-3-2-4-6-8-10-15(20)18-17/h11-12H,1-10,13,17H2,(H,18,20)
InChIKeyHUDYOQBJPHTIHT-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.40
Rot. Bonds11

About 11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide

11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide (PubChem CID 89220659) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide.

Molecular Properties

Compound Name11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide
PubChem CID89220659
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide
SMILESC=C1C=CC(=O)N1CCCCCCCCCCC(=O)NN
InChIInChI=1S/C16H27N3O2/c1-14-11-12-16(21)19(14)13-9-7-5-3-2-4-6-8-10-15(20)18-17/h11-12H,1-10,13,17H2,(H,18,20)
InChIKeyHUDYOQBJPHTIHT-UHFFFAOYSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide?
The IUPAC name of 11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide (CID 89220659) is 11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide.
What is the SMILES notation for 11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide?
The canonical SMILES for 11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide is C=C1C=CC(=O)N1CCCCCCCCCCC(=O)NN.
What is the InChIKey of 11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide?
The InChIKey is HUDYOQBJPHTIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-14-11-12-16(21)19(14)13-9-7-5-3-2-4-6-8-10-15(20)18-17/h11-12H,1-10,13,17H2,(H,18,20).
What are the key properties of 11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide?
11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide has a molecular weight of 293.41 g/mol, XLogP of 2.40, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylidene-5-oxopyrrol-1-yl)undecanehydrazide is sourced from PubChem (CID 89220659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).