N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide

C13H25N3O2 — CID 77052808

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide
SMILESCC(C(N)=NO)N(C)C(=O)C1CCCCCCC1
InChIInChI=1S/C13H25N3O2/c1-10(12(14)15-18)16(2)13(17)11-8-6-4-3-5-7-9-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyDPNVHFVANNQLIT-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.94
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide (PubChem CID 77052808) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide
PubChem CID77052808
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide
SMILESCC(C(N)=NO)N(C)C(=O)C1CCCCCCC1
InChIInChI=1S/C13H25N3O2/c1-10(12(14)15-18)16(2)13(17)11-8-6-4-3-5-7-9-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyDPNVHFVANNQLIT-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.94
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-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide (CID 77052808) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide is CC(C(N)=NO)N(C)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide?
The InChIKey is DPNVHFVANNQLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(12(14)15-18)16(2)13(17)11-8-6-4-3-5-7-9-11/h10-11,18H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide is sourced from PubChem (CID 77052808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).