3-(ethenylamino)-3-methylbutan-2-one

C7H13NO — CID 156741389

IUPAC3-(ethenylamino)-3-methylbutan-2-one
SMILESC=CNC(C)(C)C(C)=O
InChIInChI=1S/C7H13NO/c1-5-8-7(3,4)6(2)9/h5,8H,1H2,2-4H3
InChIKeyQIZBAEYSXZUGPI-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds3

About 3-(ethenylamino)-3-methylbutan-2-one

3-(ethenylamino)-3-methylbutan-2-one (PubChem CID 156741389) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(ethenylamino)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(ethenylamino)-3-methylbutan-2-one
PubChem CID156741389
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-(ethenylamino)-3-methylbutan-2-one
SMILESC=CNC(C)(C)C(C)=O
InChIInChI=1S/C7H13NO/c1-5-8-7(3,4)6(2)9/h5,8H,1H2,2-4H3
InChIKeyQIZBAEYSXZUGPI-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-sulfanylpent-4-en-2-one
CID 142384031
but-3-en-2-one;N-ethenylacetamide
CID 139410839
but-3-en-2-one;2,2-dimethylpropane;methane
CID 157101199
4-(ethylamino)-4-methylpent-1-en-3-one
CID 116566077
N-[(E)-3,3-dimethylbut-1-enyl]acetamide
CID 55299513
3,3-difluoro-4,4-dimethylhex-5-en-2-one
CID 11084183
(E)-3,3,6,6-tetramethylhept-4-en-2-one
CID 89008676
2-(ethenylamino)-2-methylbutan-1-ol
CID 164540585
(3S)-3-methyl-3-(methylamino)hept-6-en-2-one
CID 118335529
N,N-dimethylmethanamine;ethenylcarbamic acid
CID 137498610
(4E)-3,3,7-trimethylocta-4,6-dien-2-one
CID 101383748
3,3-dimethylbut-1-ene;2-methylprop-2-enoic acid
CID 175316854

Frequently Asked Questions

What is the IUPAC name of 3-(ethenylamino)-3-methylbutan-2-one?
The IUPAC name of 3-(ethenylamino)-3-methylbutan-2-one (CID 156741389) is 3-(ethenylamino)-3-methylbutan-2-one.
What is the SMILES notation for 3-(ethenylamino)-3-methylbutan-2-one?
The canonical SMILES for 3-(ethenylamino)-3-methylbutan-2-one is C=CNC(C)(C)C(C)=O.
What is the InChIKey of 3-(ethenylamino)-3-methylbutan-2-one?
The InChIKey is QIZBAEYSXZUGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-8-7(3,4)6(2)9/h5,8H,1H2,2-4H3.
What are the key properties of 3-(ethenylamino)-3-methylbutan-2-one?
3-(ethenylamino)-3-methylbutan-2-one has a molecular weight of 127.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenylamino)-3-methylbutan-2-one is sourced from PubChem (CID 156741389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).