3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide

C8H17N3O2 — CID 112629319

IUPAC3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide
SMILESNNC(=O)CCN1CCC(CO)C1
InChIInChI=1S/C8H17N3O2/c9-10-8(13)2-4-11-3-1-7(5-11)6-12/h7,12H,1-6,9H2,(H,10,13)
InChIKeyDDYHIVPBXNPVAK-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.32
Rot. Bonds4

About 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide

3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide (PubChem CID 112629319) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide
PubChem CID112629319
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide
SMILESNNC(=O)CCN1CCC(CO)C1
InChIInChI=1S/C8H17N3O2/c9-10-8(13)2-4-11-3-1-7(5-11)6-12/h7,12H,1-6,9H2,(H,10,13)
InChIKeyDDYHIVPBXNPVAK-UHFFFAOYSA-N
XLogP-1.32
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.32
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-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide (CID 112629319) is 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide is NNC(=O)CCN1CCC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide?
The InChIKey is DDYHIVPBXNPVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-10-8(13)2-4-11-3-1-7(5-11)6-12/h7,12H,1-6,9H2,(H,10,13).
What are the key properties of 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide?
3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide has a molecular weight of 187.24 g/mol, XLogP of -1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanehydrazide is sourced from PubChem (CID 112629319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).