3-(pyrrol-1-ylmethyl)benzohydrazide

C12H13N3O — CID 100793873

IUPAC3-(pyrrol-1-ylmethyl)benzohydrazide
SMILESNNC(=O)c1cccc(Cn2cccc2)c1
InChIInChI=1S/C12H13N3O/c13-14-12(16)11-5-3-4-10(8-11)9-15-6-1-2-7-15/h1-8H,9,13H2,(H,14,16)
InChIKeyXPHZWJOPOKARIP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.14
Rot. Bonds3

About 3-(pyrrol-1-ylmethyl)benzohydrazide

3-(pyrrol-1-ylmethyl)benzohydrazide (PubChem CID 100793873) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(pyrrol-1-ylmethyl)benzohydrazide.

Molecular Properties

Compound Name3-(pyrrol-1-ylmethyl)benzohydrazide
PubChem CID100793873
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(pyrrol-1-ylmethyl)benzohydrazide
SMILESNNC(=O)c1cccc(Cn2cccc2)c1
InChIInChI=1S/C12H13N3O/c13-14-12(16)11-5-3-4-10(8-11)9-15-6-1-2-7-15/h1-8H,9,13H2,(H,14,16)
InChIKeyXPHZWJOPOKARIP-UHFFFAOYSA-N
XLogP1.14
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.14
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2,5-dimethylpyrrol-1-yl)methyl]benzohydrazide
CID 100793902
3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide
CID 82992768
3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
CID 63573220
3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63579248
3-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63810746
3-(cyanomethyl)benzohydrazide
CID 68715824
3-prop-2-enylbenzohydrazide
CID 20555786
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63579069
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
CID 55214615
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-[(4-oxo-1-pyridinyl)methyl]benzoic acid
CID 62880330

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrol-1-ylmethyl)benzohydrazide?
The IUPAC name of 3-(pyrrol-1-ylmethyl)benzohydrazide (CID 100793873) is 3-(pyrrol-1-ylmethyl)benzohydrazide.
What is the SMILES notation for 3-(pyrrol-1-ylmethyl)benzohydrazide?
The canonical SMILES for 3-(pyrrol-1-ylmethyl)benzohydrazide is NNC(=O)c1cccc(Cn2cccc2)c1.
What is the InChIKey of 3-(pyrrol-1-ylmethyl)benzohydrazide?
The InChIKey is XPHZWJOPOKARIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-14-12(16)11-5-3-4-10(8-11)9-15-6-1-2-7-15/h1-8H,9,13H2,(H,14,16).
What are the key properties of 3-(pyrrol-1-ylmethyl)benzohydrazide?
3-(pyrrol-1-ylmethyl)benzohydrazide has a molecular weight of 215.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrol-1-ylmethyl)benzohydrazide is sourced from PubChem (CID 100793873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).