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

C15H23N3O2 — CID 63571354

IUPAC2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CN1CCCC1CCCO
InChIInChI=1S/C15H23N3O2/c16-17-15(20)14-8-2-1-5-12(14)11-18-9-3-6-13(18)7-4-10-19/h1-2,5,8,13,19H,3-4,6-7,9-11,16H2,(H,17,20)
InChIKeyDJWBIDOXVPXSJN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.03
Rot. Bonds6

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

2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide (PubChem CID 63571354) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide
PubChem CID63571354
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CN1CCCC1CCCO
InChIInChI=1S/C15H23N3O2/c16-17-15(20)14-8-2-1-5-12(14)11-18-9-3-6-13(18)7-4-10-19/h1-2,5,8,13,19H,3-4,6-7,9-11,16H2,(H,17,20)
InChIKeyDJWBIDOXVPXSJN-UHFFFAOYSA-N
XLogP1.03
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.03
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-[1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479564
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103045
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone
CID 55075882
3-[1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 64769785
3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478492
methyl 2-[(2-ethylpyrrolidin-1-yl)methyl]benzoate
CID 82969492
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 55076314
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
CID 63571893
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62893634
1-[4-hydroxy-3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 62469020
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide?
The IUPAC name of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide (CID 63571354) is 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide.
What is the SMILES notation for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide?
The canonical SMILES for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide is NNC(=O)c1ccccc1CN1CCCC1CCCO.
What is the InChIKey of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide?
The InChIKey is DJWBIDOXVPXSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-17-15(20)14-8-2-1-5-12(14)11-18-9-3-6-13(18)7-4-10-19/h1-2,5,8,13,19H,3-4,6-7,9-11,16H2,(H,17,20).
What are the key properties of 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide?
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide has a molecular weight of 277.37 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide is sourced from PubChem (CID 63571354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).