3-amino-2-methylidenepentanamide

C6H12N2O — CID 18981507

IUPAC3-amino-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(N)CC
InChIInChI=1S/C6H12N2O/c1-3-5(7)4(2)6(8)9/h5H,2-3,7H2,1H3,(H2,8,9)
InChIKeyGGJYAIMXZNOLEI-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.23
Rot. Bonds3

About 3-amino-2-methylidenepentanamide

3-amino-2-methylidenepentanamide (PubChem CID 18981507) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-amino-2-methylidenepentanamide.

Molecular Properties

Compound Name3-amino-2-methylidenepentanamide
PubChem CID18981507
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-amino-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(N)CC
InChIInChI=1S/C6H12N2O/c1-3-5(7)4(2)6(8)9/h5H,2-3,7H2,1H3,(H2,8,9)
InChIKeyGGJYAIMXZNOLEI-UHFFFAOYSA-N
XLogP-0.23
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.23
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylidenepentanamide?
The IUPAC name of 3-amino-2-methylidenepentanamide (CID 18981507) is 3-amino-2-methylidenepentanamide.
What is the SMILES notation for 3-amino-2-methylidenepentanamide?
The canonical SMILES for 3-amino-2-methylidenepentanamide is C=C(C(N)=O)C(N)CC.
What is the InChIKey of 3-amino-2-methylidenepentanamide?
The InChIKey is GGJYAIMXZNOLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-5(7)4(2)6(8)9/h5H,2-3,7H2,1H3,(H2,8,9).
What are the key properties of 3-amino-2-methylidenepentanamide?
3-amino-2-methylidenepentanamide has a molecular weight of 128.17 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylidenepentanamide is sourced from PubChem (CID 18981507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).