N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide

C15H18N2O3 — CID 76984578

IUPACN-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide
SMILESCN(C(=O)COc1cccc2c1CCC2=NO)C1CC1
InChIInChI=1S/C15H18N2O3/c1-17(10-5-6-10)15(18)9-20-14-4-2-3-11-12(14)7-8-13(11)16-19/h2-4,10,19H,5-9H2,1H3
InChIKeyRIQMKYKUPYFLSM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.81
Rot. Bonds4

About N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide

N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide (PubChem CID 76984578) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide
PubChem CID76984578
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide
SMILESCN(C(=O)COc1cccc2c1CCC2=NO)C1CC1
InChIInChI=1S/C15H18N2O3/c1-17(10-5-6-10)15(18)9-20-14-4-2-3-11-12(14)7-8-13(11)16-19/h2-4,10,19H,5-9H2,1H3
InChIKeyRIQMKYKUPYFLSM-UHFFFAOYSA-N
XLogP1.81
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide (CID 76984578) is N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide is CN(C(=O)COc1cccc2c1CCC2=NO)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide?
The InChIKey is RIQMKYKUPYFLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17(10-5-6-10)15(18)9-20-14-4-2-3-11-12(14)7-8-13(11)16-19/h2-4,10,19H,5-9H2,1H3.
What are the key properties of N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide?
N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide has a molecular weight of 274.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide is sourced from PubChem (CID 76984578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).