2-amino-5-cyclopentylbenzohydrazide

C12H17N3O — CID 145124924

IUPAC2-amino-5-cyclopentylbenzohydrazide
SMILESNNC(=O)c1cc(C2CCCC2)ccc1N
InChIInChI=1S/C12H17N3O/c13-11-6-5-9(8-3-1-2-4-8)7-10(11)12(16)15-14/h5-8H,1-4,13-14H2,(H,15,16)
InChIKeyXZQQHCALXPQVIJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-5-cyclopentylbenzohydrazide

2-amino-5-cyclopentylbenzohydrazide (PubChem CID 145124924) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-5-cyclopentylbenzohydrazide.

Molecular Properties

Compound Name2-amino-5-cyclopentylbenzohydrazide
PubChem CID145124924
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-5-cyclopentylbenzohydrazide
SMILESNNC(=O)c1cc(C2CCCC2)ccc1N
InChIInChI=1S/C12H17N3O/c13-11-6-5-9(8-3-1-2-4-8)7-10(11)12(16)15-14/h5-8H,1-4,13-14H2,(H,15,16)
InChIKeyXZQQHCALXPQVIJ-UHFFFAOYSA-N
XLogP1.53
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-5-cyclopentylbenzohydrazide?
The IUPAC name of 2-amino-5-cyclopentylbenzohydrazide (CID 145124924) is 2-amino-5-cyclopentylbenzohydrazide.
What is the SMILES notation for 2-amino-5-cyclopentylbenzohydrazide?
The canonical SMILES for 2-amino-5-cyclopentylbenzohydrazide is NNC(=O)c1cc(C2CCCC2)ccc1N.
What is the InChIKey of 2-amino-5-cyclopentylbenzohydrazide?
The InChIKey is XZQQHCALXPQVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11-6-5-9(8-3-1-2-4-8)7-10(11)12(16)15-14/h5-8H,1-4,13-14H2,(H,15,16).
What are the key properties of 2-amino-5-cyclopentylbenzohydrazide?
2-amino-5-cyclopentylbenzohydrazide has a molecular weight of 219.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopentylbenzohydrazide is sourced from PubChem (CID 145124924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).