2-(but-1-en-2-ylamino)propanamide

C7H14N2O — CID 89082957

IUPAC2-(but-1-en-2-ylamino)propanamide
SMILESC=C(CC)NC(C)C(N)=O
InChIInChI=1S/C7H14N2O/c1-4-5(2)9-6(3)7(8)10/h6,9H,2,4H2,1,3H3,(H2,8,10)
InChIKeyHGUXGZZGRZIYGP-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.37
Rot. Bonds4

About 2-(but-1-en-2-ylamino)propanamide

2-(but-1-en-2-ylamino)propanamide (PubChem CID 89082957) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(but-1-en-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(but-1-en-2-ylamino)propanamide
PubChem CID89082957
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-(but-1-en-2-ylamino)propanamide
SMILESC=C(CC)NC(C)C(N)=O
InChIInChI=1S/C7H14N2O/c1-4-5(2)9-6(3)7(8)10/h6,9H,2,4H2,1,3H3,(H2,8,10)
InChIKeyHGUXGZZGRZIYGP-UHFFFAOYSA-N
XLogP0.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(but-1-en-2-ylamino)propanamide?
The IUPAC name of 2-(but-1-en-2-ylamino)propanamide (CID 89082957) is 2-(but-1-en-2-ylamino)propanamide.
What is the SMILES notation for 2-(but-1-en-2-ylamino)propanamide?
The canonical SMILES for 2-(but-1-en-2-ylamino)propanamide is C=C(CC)NC(C)C(N)=O.
What is the InChIKey of 2-(but-1-en-2-ylamino)propanamide?
The InChIKey is HGUXGZZGRZIYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-5(2)9-6(3)7(8)10/h6,9H,2,4H2,1,3H3,(H2,8,10).
What are the key properties of 2-(but-1-en-2-ylamino)propanamide?
2-(but-1-en-2-ylamino)propanamide has a molecular weight of 142.20 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-1-en-2-ylamino)propanamide is sourced from PubChem (CID 89082957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).