N'-(2-pyrrol-1-ylethyl)pentanehydrazide

C11H19N3O — CID 141005954

IUPACN'-(2-pyrrol-1-ylethyl)pentanehydrazide
SMILESCCCCC(=O)NNCCn1cccc1
InChIInChI=1S/C11H19N3O/c1-2-3-6-11(15)13-12-7-10-14-8-4-5-9-14/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,13,15)
InChIKeyOILGTKYWFFIHMU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.30
Rot. Bonds7

About N'-(2-pyrrol-1-ylethyl)pentanehydrazide

N'-(2-pyrrol-1-ylethyl)pentanehydrazide (PubChem CID 141005954) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N'-(2-pyrrol-1-ylethyl)pentanehydrazide.

Molecular Properties

Compound NameN'-(2-pyrrol-1-ylethyl)pentanehydrazide
PubChem CID141005954
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN'-(2-pyrrol-1-ylethyl)pentanehydrazide
SMILESCCCCC(=O)NNCCn1cccc1
InChIInChI=1S/C11H19N3O/c1-2-3-6-11(15)13-12-7-10-14-8-4-5-9-14/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,13,15)
InChIKeyOILGTKYWFFIHMU-UHFFFAOYSA-N
XLogP1.30
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.30
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'-(2-pyrrol-1-ylethyl)pentanehydrazide?
The IUPAC name of N'-(2-pyrrol-1-ylethyl)pentanehydrazide (CID 141005954) is N'-(2-pyrrol-1-ylethyl)pentanehydrazide.
What is the SMILES notation for N'-(2-pyrrol-1-ylethyl)pentanehydrazide?
The canonical SMILES for N'-(2-pyrrol-1-ylethyl)pentanehydrazide is CCCCC(=O)NNCCn1cccc1.
What is the InChIKey of N'-(2-pyrrol-1-ylethyl)pentanehydrazide?
The InChIKey is OILGTKYWFFIHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-6-11(15)13-12-7-10-14-8-4-5-9-14/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,13,15).
What are the key properties of N'-(2-pyrrol-1-ylethyl)pentanehydrazide?
N'-(2-pyrrol-1-ylethyl)pentanehydrazide has a molecular weight of 209.29 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyrrol-1-ylethyl)pentanehydrazide is sourced from PubChem (CID 141005954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).