2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide

C13H19N3O2 — CID 112629323

IUPAC2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CN1CCC(CO)C1
InChIInChI=1S/C13H19N3O2/c14-15-13(18)12-4-2-1-3-11(12)8-16-6-5-10(7-16)9-17/h1-4,10,17H,5-9,14H2,(H,15,18)
InChIKeyZZZXPMHUCLAARP-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.10
Rot. Bonds4

About 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide

2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide (PubChem CID 112629323) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
PubChem CID112629323
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CN1CCC(CO)C1
InChIInChI=1S/C13H19N3O2/c14-15-13(18)12-4-2-1-3-11(12)8-16-6-5-10(7-16)9-17/h1-4,10,17H,5-9,14H2,(H,15,18)
InChIKeyZZZXPMHUCLAARP-UHFFFAOYSA-N
XLogP0.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol
CID 112624443
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 82969171
methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
CID 115463329
2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide
CID 105352065
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide
CID 66371242
2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide
CID 63573353
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
2-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide
CID 63569716
2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43590347

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide?
The IUPAC name of 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide (CID 112629323) is 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide.
What is the SMILES notation for 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide?
The canonical SMILES for 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide is NNC(=O)c1ccccc1CN1CCC(CO)C1.
What is the InChIKey of 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide?
The InChIKey is ZZZXPMHUCLAARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-15-13(18)12-4-2-1-3-11(12)8-16-6-5-10(7-16)9-17/h1-4,10,17H,5-9,14H2,(H,15,18).
What are the key properties of 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide?
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide has a molecular weight of 249.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide is sourced from PubChem (CID 112629323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).