3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide

C11H23N3O2 — CID 63571893

IUPAC3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
SMILESCC(CN1CCCC1CCCO)C(=O)NN
InChIInChI=1S/C11H23N3O2/c1-9(11(16)13-12)8-14-6-2-4-10(14)5-3-7-15/h9-10,15H,2-8,12H2,1H3,(H,13,16)
InChIKeyAPOVNCSPNQGEPD-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.15
Rot. Bonds6

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

3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide (PubChem CID 63571893) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
PubChem CID63571893
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
SMILESCC(CN1CCCC1CCCO)C(=O)NN
InChIInChI=1S/C11H23N3O2/c1-9(11(16)13-12)8-14-6-2-4-10(14)5-3-7-15/h9-10,15H,2-8,12H2,1H3,(H,13,16)
InChIKeyAPOVNCSPNQGEPD-UHFFFAOYSA-N
XLogP-0.15
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.15
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

2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
CID 64582737
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62612828
3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol
CID 107443410
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 63571354
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropanehydrazide
CID 82752286
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62468873
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
CID 114801954

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide?
The IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide (CID 63571893) is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide.
What is the SMILES notation for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide?
The canonical SMILES for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide is CC(CN1CCCC1CCCO)C(=O)NN.
What is the InChIKey of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide?
The InChIKey is APOVNCSPNQGEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(11(16)13-12)8-14-6-2-4-10(14)5-3-7-15/h9-10,15H,2-8,12H2,1H3,(H,13,16).
What are the key properties of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide?
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide has a molecular weight of 229.32 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide is sourced from PubChem (CID 63571893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).