3-amino-N-(3-oxobutyl)but-3-enamide

C8H14N2O2 — CID 155242584

IUPAC3-amino-N-(3-oxobutyl)but-3-enamide
SMILESC=C(N)CC(=O)NCCC(C)=O
InChIInChI=1S/C8H14N2O2/c1-6(9)5-8(12)10-4-3-7(2)11/h1,3-5,9H2,2H3,(H,10,12)
InChIKeyVDHLXJHFICURHE-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.06
Rot. Bonds5

About 3-amino-N-(3-oxobutyl)but-3-enamide

3-amino-N-(3-oxobutyl)but-3-enamide (PubChem CID 155242584) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-amino-N-(3-oxobutyl)but-3-enamide.

Molecular Properties

Compound Name3-amino-N-(3-oxobutyl)but-3-enamide
PubChem CID155242584
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-amino-N-(3-oxobutyl)but-3-enamide
SMILESC=C(N)CC(=O)NCCC(C)=O
InChIInChI=1S/C8H14N2O2/c1-6(9)5-8(12)10-4-3-7(2)11/h1,3-5,9H2,2H3,(H,10,12)
InChIKeyVDHLXJHFICURHE-UHFFFAOYSA-N
XLogP-0.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminopent-4-enyl)propanamide
CID 126589543
N-(3-aminobut-3-enyl)propanamide
CID 137412908
N-(3-acetamidobut-3-enyl)acetamide
CID 139544160
3-[4-[Butyl(methyl)amino]but-1-en-2-ylamino]propanamide;ethane
CID 142174077
N-ethyl-3-(ethylamino)but-3-enamide
CID 148931324
N-acetyl-N-methyl-3-(methylamino)but-3-enamide
CID 163452035
(Z)-3-amino-N-methyl-N-propan-2-yl-4-(propan-2-ylamino)but-3-enamide
CID 170356587
3-methyl-N-[2-(4-oxopent-1-en-2-ylamino)ethyl]but-3-enamide
CID 171799666
N-(3-aminobut-3-enyl)acetamide
CID 174300399
Triethyl-[4-(methylamino)-4-oxobut-1-en-2-yl]azanium
CID 176967053
3-(propanoylamino)-N-prop-1-en-2-ylpropanamide
CID 178825319
N-butyl-2-(2-oxo-1,3-dihydroimidazol-4-yl)acetamide
CID 23629712

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-oxobutyl)but-3-enamide?
The IUPAC name of 3-amino-N-(3-oxobutyl)but-3-enamide (CID 155242584) is 3-amino-N-(3-oxobutyl)but-3-enamide.
What is the SMILES notation for 3-amino-N-(3-oxobutyl)but-3-enamide?
The canonical SMILES for 3-amino-N-(3-oxobutyl)but-3-enamide is C=C(N)CC(=O)NCCC(C)=O.
What is the InChIKey of 3-amino-N-(3-oxobutyl)but-3-enamide?
The InChIKey is VDHLXJHFICURHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(9)5-8(12)10-4-3-7(2)11/h1,3-5,9H2,2H3,(H,10,12).
What are the key properties of 3-amino-N-(3-oxobutyl)but-3-enamide?
3-amino-N-(3-oxobutyl)but-3-enamide has a molecular weight of 170.21 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-oxobutyl)but-3-enamide is sourced from PubChem (CID 155242584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).