4-amino-2-methylidenebutanamide

C5H10N2O — CID 22065728

IUPAC4-amino-2-methylidenebutanamide
SMILESC=C(CCN)C(N)=O
InChIInChI=1S/C5H10N2O/c1-4(2-3-6)5(7)8/h1-3,6H2,(H2,7,8)
InChIKeyRINDUYMVZWQJDB-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.62
Rot. Bonds3

About 4-amino-2-methylidenebutanamide

4-amino-2-methylidenebutanamide (PubChem CID 22065728) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 4-amino-2-methylidenebutanamide.

Molecular Properties

Compound Name4-amino-2-methylidenebutanamide
PubChem CID22065728
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name4-amino-2-methylidenebutanamide
SMILESC=C(CCN)C(N)=O
InChIInChI=1S/C5H10N2O/c1-4(2-3-6)5(7)8/h1-3,6H2,(H2,7,8)
InChIKeyRINDUYMVZWQJDB-UHFFFAOYSA-N
XLogP-0.62
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Itaconamide
CID 239162
4-Amino-3-methyl-2-methylidenebutanamide
CID 129829897
4-Amino-2-methylidenepentanamide
CID 19960720
Ethanamine;2-methylidenebutanamide
CID 20092184
Azane;2-methylidenebutanamide
CID 21932833
3-Amino-propyl-acrylamide
CID 22065658
4-Isocyanato-2-methylidenebutanamide
CID 22272262
3-Amino-2-methylidenebutanamide
CID 22497387
Ethanamine;2-methylprop-2-enamide
CID 22606992
Methanamine;2-methylidenebutanamide
CID 23370711
4-amino-N,N-dimethyl-2-methylidenebutanamide
CID 53445430
(4-Amino-2-methylidenebutanoyl)-methanidylazanium
CID 58668144

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylidenebutanamide?
The IUPAC name of 4-amino-2-methylidenebutanamide (CID 22065728) is 4-amino-2-methylidenebutanamide.
What is the SMILES notation for 4-amino-2-methylidenebutanamide?
The canonical SMILES for 4-amino-2-methylidenebutanamide is C=C(CCN)C(N)=O.
What is the InChIKey of 4-amino-2-methylidenebutanamide?
The InChIKey is RINDUYMVZWQJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(2-3-6)5(7)8/h1-3,6H2,(H2,7,8).
What are the key properties of 4-amino-2-methylidenebutanamide?
4-amino-2-methylidenebutanamide has a molecular weight of 114.15 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylidenebutanamide is sourced from PubChem (CID 22065728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).