4-[methyl(prop-1-en-2-yl)amino]butan-2-one

C8H15NO — CID 142894760

IUPAC4-[methyl(prop-1-en-2-yl)amino]butan-2-one
SMILESC=C(C)N(C)CCC(C)=O
InChIInChI=1S/C8H15NO/c1-7(2)9(4)6-5-8(3)10/h1,5-6H2,2-4H3
InChIKeyKTFGRKGBLAQFLK-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds4

About 4-[methyl(prop-1-en-2-yl)amino]butan-2-one

4-[methyl(prop-1-en-2-yl)amino]butan-2-one (PubChem CID 142894760) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-[methyl(prop-1-en-2-yl)amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl(prop-1-en-2-yl)amino]butan-2-one
PubChem CID142894760
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-[methyl(prop-1-en-2-yl)amino]butan-2-one
SMILESC=C(C)N(C)CCC(C)=O
InChIInChI=1S/C8H15NO/c1-7(2)9(4)6-5-8(3)10/h1,5-6H2,2-4H3
InChIKeyKTFGRKGBLAQFLK-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 169890551
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CID 178762516
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CID 142109121
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CID 155720186
CID 155720186

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(prop-1-en-2-yl)amino]butan-2-one?
The IUPAC name of 4-[methyl(prop-1-en-2-yl)amino]butan-2-one (CID 142894760) is 4-[methyl(prop-1-en-2-yl)amino]butan-2-one.
What is the SMILES notation for 4-[methyl(prop-1-en-2-yl)amino]butan-2-one?
The canonical SMILES for 4-[methyl(prop-1-en-2-yl)amino]butan-2-one is C=C(C)N(C)CCC(C)=O.
What is the InChIKey of 4-[methyl(prop-1-en-2-yl)amino]butan-2-one?
The InChIKey is KTFGRKGBLAQFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)9(4)6-5-8(3)10/h1,5-6H2,2-4H3.
What are the key properties of 4-[methyl(prop-1-en-2-yl)amino]butan-2-one?
4-[methyl(prop-1-en-2-yl)amino]butan-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(prop-1-en-2-yl)amino]butan-2-one is sourced from PubChem (CID 142894760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).