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

C10H21N3O2 — CID 114801954

IUPAC3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
SMILESCC(CN1CCC(CCO)C1)C(=O)NN
InChIInChI=1S/C10H21N3O2/c1-8(10(15)12-11)6-13-4-2-9(7-13)3-5-14/h8-9,14H,2-7,11H2,1H3,(H,12,15)
InChIKeyNZJHCKYYDKUDQR-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.68
Rot. Bonds5

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

3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide (PubChem CID 114801954) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
PubChem CID114801954
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
SMILESCC(CN1CCC(CCO)C1)C(=O)NN
InChIInChI=1S/C10H21N3O2/c1-8(10(15)12-11)6-13-4-2-9(7-13)3-5-14/h8-9,14H,2-7,11H2,1H3,(H,12,15)
InChIKeyNZJHCKYYDKUDQR-UHFFFAOYSA-N
XLogP-0.68
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.68
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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide?
The IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide (CID 114801954) is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide?
The canonical SMILES for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide is CC(CN1CCC(CCO)C1)C(=O)NN.
What is the InChIKey of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide?
The InChIKey is NZJHCKYYDKUDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(10(15)12-11)6-13-4-2-9(7-13)3-5-14/h8-9,14H,2-7,11H2,1H3,(H,12,15).
What are the key properties of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide?
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide has a molecular weight of 215.30 g/mol, XLogP of -0.68, 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]-2-methylpropanehydrazide is sourced from PubChem (CID 114801954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).