5-(methylamino)pent-2-enamide

C6H12N2O — CID 90151348

IUPAC5-(methylamino)pent-2-enamide
SMILESCNCCC=CC(N)=O
InChIInChI=1S/C6H12N2O/c1-8-5-3-2-4-6(7)9/h2,4,8H,3,5H2,1H3,(H2,7,9)
InChIKeyYKYGNDHLLOMCJA-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.36
Rot. Bonds4

About 5-(methylamino)pent-2-enamide

5-(methylamino)pent-2-enamide (PubChem CID 90151348) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 5-(methylamino)pent-2-enamide.

Molecular Properties

Compound Name5-(methylamino)pent-2-enamide
PubChem CID90151348
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name5-(methylamino)pent-2-enamide
SMILESCNCCC=CC(N)=O
InChIInChI=1S/C6H12N2O/c1-8-5-3-2-4-6(7)9/h2,4,8H,3,5H2,1H3,(H2,7,9)
InChIKeyYKYGNDHLLOMCJA-UHFFFAOYSA-N
XLogP-0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)pent-2-enamide?
The IUPAC name of 5-(methylamino)pent-2-enamide (CID 90151348) is 5-(methylamino)pent-2-enamide.
What is the SMILES notation for 5-(methylamino)pent-2-enamide?
The canonical SMILES for 5-(methylamino)pent-2-enamide is CNCCC=CC(N)=O.
What is the InChIKey of 5-(methylamino)pent-2-enamide?
The InChIKey is YKYGNDHLLOMCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-5-3-2-4-6(7)9/h2,4,8H,3,5H2,1H3,(H2,7,9).
What are the key properties of 5-(methylamino)pent-2-enamide?
5-(methylamino)pent-2-enamide has a molecular weight of 128.17 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)pent-2-enamide is sourced from PubChem (CID 90151348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).