3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide

C13H16N2O3 — CID 55182024

IUPAC3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide
SMILESCC(COc1cccc2c1CC/C2=N\O)C(N)=O
InChIInChI=1S/C13H16N2O3/c1-8(13(14)16)7-18-12-4-2-3-9-10(12)5-6-11(9)15-17/h2-4,8,17H,5-7H2,1H3,(H2,14,16)/b15-11+
InChIKeyNGDAXJXJKOXRGL-RVDMUPIBSA-N
MW248.28 g/mol
LogP1.31
Rot. Bonds4

About 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide

3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide (PubChem CID 55182024) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide
PubChem CID55182024
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide
SMILESCC(COc1cccc2c1CC/C2=N\O)C(N)=O
InChIInChI=1S/C13H16N2O3/c1-8(13(14)16)7-18-12-4-2-3-9-10(12)5-6-11(9)15-17/h2-4,8,17H,5-7H2,1H3,(H2,14,16)/b15-11+
InChIKeyNGDAXJXJKOXRGL-RVDMUPIBSA-N
XLogP1.31
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
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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Related Compounds

(NE)-N-[5-(2-methylpropoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 65455967
N-[4-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 77020738
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]butan-2-ol
CID 77067742
N-[4-(2-methylsulfonylethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984535
(NE)-N-[4-[3-(2-methoxyethoxy)propoxy]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 103410043
1-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-methoxypropan-2-ol
CID 77067604
N-[4-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 76984647
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
N-cyclopropyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]-N-methylacetamide
CID 76984578
2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]-N-methyl-N-propan-2-ylacetamide
CID 77067652
3-(3-amino-2-methylphenoxy)-2-methylpropanamide
CID 43437797
N-cyclopentyl-2-[(1-hydroxyimino-2,3-dihydroinden-4-yl)oxy]acetamide
CID 76984645

Frequently Asked Questions

What is the IUPAC name of 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide?
The IUPAC name of 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide (CID 55182024) is 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide.
What is the SMILES notation for 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide?
The canonical SMILES for 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide is CC(COc1cccc2c1CC/C2=N\O)C(N)=O.
What is the InChIKey of 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide?
The InChIKey is NGDAXJXJKOXRGL-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(13(14)16)7-18-12-4-2-3-9-10(12)5-6-11(9)15-17/h2-4,8,17H,5-7H2,1H3,(H2,14,16)/b15-11+.
What are the key properties of 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide?
3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide has a molecular weight of 248.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-4-yl]oxy]-2-methylpropanamide is sourced from PubChem (CID 55182024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).