methane;1-methyliminopropan-2-one

C5H11NO — CID 157054980

IUPACmethane;1-methyliminopropan-2-one
SMILESC.C/N=C/C(C)=O
InChIInChI=1S/C4H7NO.CH4/c1-4(6)3-5-2;/h3H,1-2H3;1H4/b5-3+;
InChIKeyAAQKPEKYJNWTGL-WGCWOXMQSA-N
MW101.15 g/mol
LogP0.91
Rot. Bonds1

About methane;1-methyliminopropan-2-one

methane;1-methyliminopropan-2-one (PubChem CID 157054980) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is methane;1-methyliminopropan-2-one.

Molecular Properties

Compound Namemethane;1-methyliminopropan-2-one
PubChem CID157054980
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Namemethane;1-methyliminopropan-2-one
SMILESC.C/N=C/C(C)=O
InChIInChI=1S/C4H7NO.CH4/c1-4(6)3-5-2;/h3H,1-2H3;1H4/b5-3+;
InChIKeyAAQKPEKYJNWTGL-WGCWOXMQSA-N
XLogP0.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Propanone, 1-(N-cyanomethylimino-)
CID 535481
4-Ethyliminobutan-2-one
CID 409579
2-Propanone, 1-[(1,1-dimethylethyl)imino]-
CID 12453688
1-Propan-2-yliminopropan-2-one
CID 13498915
(1E)-1-(Methylimino)propan-2-one
CID 13614138
4-Methyliminobutan-2-one
CID 19437467
1-(Ethylideneamino)propan-2-one
CID 20587523
Carbanide;1-methanidyliminopropan-2-one;tungsten(2+)
CID 20593621
1-Methanidyliminopropan-2-one;2-oxopropylideneazanide;tungsten(2+)
CID 22986874
Dimethyl(2-oxopropylidene)azanium
CID 53938031
4-Propan-2-yliminobutan-2-one
CID 54205274
CID 57895361
CID 57895361

Frequently Asked Questions

What is the IUPAC name of methane;1-methyliminopropan-2-one?
The IUPAC name of methane;1-methyliminopropan-2-one (CID 157054980) is methane;1-methyliminopropan-2-one.
What is the SMILES notation for methane;1-methyliminopropan-2-one?
The canonical SMILES for methane;1-methyliminopropan-2-one is C.C/N=C/C(C)=O.
What is the InChIKey of methane;1-methyliminopropan-2-one?
The InChIKey is AAQKPEKYJNWTGL-WGCWOXMQSA-N. The full InChI is InChI=1S/C4H7NO.CH4/c1-4(6)3-5-2;/h3H,1-2H3;1H4/b5-3+;.
What are the key properties of methane;1-methyliminopropan-2-one?
methane;1-methyliminopropan-2-one has a molecular weight of 101.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyliminopropan-2-one is sourced from PubChem (CID 157054980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).