3-(1-methylpyrrol-2-yl)prop-2-enehydrazide

C8H11N3O — CID 69408066

IUPAC3-(1-methylpyrrol-2-yl)prop-2-enehydrazide
SMILESCn1cccc1C=CC(=O)NN
InChIInChI=1S/C8H11N3O/c1-11-6-2-3-7(11)4-5-8(12)10-9/h2-6H,9H2,1H3,(H,10,12)
InChIKeyBVKJPCOANIMZEQ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.03
Rot. Bonds2

About 3-(1-methylpyrrol-2-yl)prop-2-enehydrazide

3-(1-methylpyrrol-2-yl)prop-2-enehydrazide (PubChem CID 69408066) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)prop-2-enehydrazide
PubChem CID69408066
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-(1-methylpyrrol-2-yl)prop-2-enehydrazide
SMILESCn1cccc1C=CC(=O)NN
InChIInChI=1S/C8H11N3O/c1-11-6-2-3-7(11)4-5-8(12)10-9/h2-6H,9H2,1H3,(H,10,12)
InChIKeyBVKJPCOANIMZEQ-UHFFFAOYSA-N
XLogP0.03
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 3-(1-methylpyrrol-2-yl)prop-2-enehydrazide?
The IUPAC name of 3-(1-methylpyrrol-2-yl)prop-2-enehydrazide (CID 69408066) is 3-(1-methylpyrrol-2-yl)prop-2-enehydrazide.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)prop-2-enehydrazide?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)prop-2-enehydrazide is Cn1cccc1C=CC(=O)NN.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)prop-2-enehydrazide?
The InChIKey is BVKJPCOANIMZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-6-2-3-7(11)4-5-8(12)10-9/h2-6H,9H2,1H3,(H,10,12).
What are the key properties of 3-(1-methylpyrrol-2-yl)prop-2-enehydrazide?
3-(1-methylpyrrol-2-yl)prop-2-enehydrazide has a molecular weight of 165.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 69408066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).