N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide

C10H19N3O2 — CID 76929255

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide
SMILESCCN(CC(N)=NO)C(=O)C1CCCC1
InChIInChI=1S/C10H19N3O2/c1-2-13(7-9(11)12-15)10(14)8-5-3-4-6-8/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyNQEFBEDPURUKNS-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.77
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide (PubChem CID 76929255) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide
PubChem CID76929255
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide
SMILESCCN(CC(N)=NO)C(=O)C1CCCC1
InChIInChI=1S/C10H19N3O2/c1-2-13(7-9(11)12-15)10(14)8-5-3-4-6-8/h8,15H,2-7H2,1H3,(H2,11,12)
InChIKeyNQEFBEDPURUKNS-UHFFFAOYSA-N
XLogP0.77
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide (CID 76929255) is N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide is CCN(CC(N)=NO)C(=O)C1CCCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide?
The InChIKey is NQEFBEDPURUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-13(7-9(11)12-15)10(14)8-5-3-4-6-8/h8,15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide is sourced from PubChem (CID 76929255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).