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

C14H21N3O2 — CID 114801981

IUPAC3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
SMILESNNC(=O)c1cccc(CN2CCC(CCO)C2)c1
InChIInChI=1S/C14H21N3O2/c15-16-14(19)13-3-1-2-12(8-13)10-17-6-4-11(9-17)5-7-18/h1-3,8,11,18H,4-7,9-10,15H2,(H,16,19)
InChIKeyHZAAZJKBIBBCFV-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.49
Rot. Bonds5

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

3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide (PubChem CID 114801981) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
PubChem CID114801981
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide
SMILESNNC(=O)c1cccc(CN2CCC(CCO)C2)c1
InChIInChI=1S/C14H21N3O2/c15-16-14(19)13-3-1-2-12(8-13)10-17-6-4-11(9-17)5-7-18/h1-3,8,11,18H,4-7,9-10,15H2,(H,16,19)
InChIKeyHZAAZJKBIBBCFV-UHFFFAOYSA-N
XLogP0.49
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.49
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

3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
methyl 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62062528
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 63619720
3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63569378
3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
CID 63573220
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide
CID 55214436
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
3-fluoro-5-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzenecarbothioamide
CID 114797728
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide?
The IUPAC name of 3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide (CID 114801981) is 3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide.
What is the SMILES notation for 3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide?
The canonical SMILES for 3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide is NNC(=O)c1cccc(CN2CCC(CCO)C2)c1.
What is the InChIKey of 3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide?
The InChIKey is HZAAZJKBIBBCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-16-14(19)13-3-1-2-12(8-13)10-17-6-4-11(9-17)5-7-18/h1-3,8,11,18H,4-7,9-10,15H2,(H,16,19).
What are the key properties of 3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide?
3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide has a molecular weight of 263.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzohydrazide is sourced from PubChem (CID 114801981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).