2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide

C12H17N3O2 — CID 144892065

IUPAC2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide
SMILESNNC(=O)Cc1ccc(OC2CCNC2)cc1
InChIInChI=1S/C12H17N3O2/c13-15-12(16)7-9-1-3-10(4-2-9)17-11-5-6-14-8-11/h1-4,11,14H,5-8,13H2,(H,15,16)
InChIKeyCLAWEVDBRZTBFC-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.04
Rot. Bonds4

About 2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide

2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide (PubChem CID 144892065) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide
PubChem CID144892065
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide
SMILESNNC(=O)Cc1ccc(OC2CCNC2)cc1
InChIInChI=1S/C12H17N3O2/c13-15-12(16)7-9-1-3-10(4-2-9)17-11-5-6-14-8-11/h1-4,11,14H,5-8,13H2,(H,15,16)
InChIKeyCLAWEVDBRZTBFC-UHFFFAOYSA-N
XLogP-0.04
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.04
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 2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide?
The IUPAC name of 2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide (CID 144892065) is 2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide.
What is the SMILES notation for 2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide?
The canonical SMILES for 2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide is NNC(=O)Cc1ccc(OC2CCNC2)cc1.
What is the InChIKey of 2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide?
The InChIKey is CLAWEVDBRZTBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-15-12(16)7-9-1-3-10(4-2-9)17-11-5-6-14-8-11/h1-4,11,14H,5-8,13H2,(H,15,16).
What are the key properties of 2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide?
2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide has a molecular weight of 235.29 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide is sourced from PubChem (CID 144892065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).