1-(2-methylprop-1-enylamino)oxypropan-2-one

C7H13NO2 — CID 123256071

IUPAC1-(2-methylprop-1-enylamino)oxypropan-2-one
SMILESCC(=O)CONC=C(C)C
InChIInChI=1S/C7H13NO2/c1-6(2)4-8-10-5-7(3)9/h4,8H,5H2,1-3H3
InChIKeyCLUVGZCPBUKXOG-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.02
Rot. Bonds4

About 1-(2-methylprop-1-enylamino)oxypropan-2-one

1-(2-methylprop-1-enylamino)oxypropan-2-one (PubChem CID 123256071) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(2-methylprop-1-enylamino)oxypropan-2-one.

Molecular Properties

Compound Name1-(2-methylprop-1-enylamino)oxypropan-2-one
PubChem CID123256071
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(2-methylprop-1-enylamino)oxypropan-2-one
SMILESCC(=O)CONC=C(C)C
InChIInChI=1S/C7H13NO2/c1-6(2)4-8-10-5-7(3)9/h4,8H,5H2,1-3H3
InChIKeyCLUVGZCPBUKXOG-UHFFFAOYSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxopropoxy)formamide
CID 174709773
1-(2-methylprop-1-enoxy)propan-2-one
CID 12741667
2-oxopropyl formate
CID 10920454
ethane;N-(2-oxopropoxy)prop-2-enamide
CID 144683227
1-(2-methylpropylamino)oxypropan-2-one
CID 23150488
pentane-2,4-dione;propan-2-one;ruthenium
CID 175213221
1-aminooxypropan-2-one
CID 20700160
1-ethenoxypentane-2,4-dione
CID 71416882
Lithium pentane-2,4-dione
CID 86735745
N-(3-methyl-2-oxobutoxy)formamide
CID 166112488
2-oxopropyl acetate;bis(vanadium)
CID 175077929
methanol;2-oxopropyl acetate
CID 174729097

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enylamino)oxypropan-2-one?
The IUPAC name of 1-(2-methylprop-1-enylamino)oxypropan-2-one (CID 123256071) is 1-(2-methylprop-1-enylamino)oxypropan-2-one.
What is the SMILES notation for 1-(2-methylprop-1-enylamino)oxypropan-2-one?
The canonical SMILES for 1-(2-methylprop-1-enylamino)oxypropan-2-one is CC(=O)CONC=C(C)C.
What is the InChIKey of 1-(2-methylprop-1-enylamino)oxypropan-2-one?
The InChIKey is CLUVGZCPBUKXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)4-8-10-5-7(3)9/h4,8H,5H2,1-3H3.
What are the key properties of 1-(2-methylprop-1-enylamino)oxypropan-2-one?
1-(2-methylprop-1-enylamino)oxypropan-2-one has a molecular weight of 143.19 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enylamino)oxypropan-2-one is sourced from PubChem (CID 123256071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).