4-(methylamino)pent-3-en-2-one

C6H11NO — CID 566954

IUPAC4-(methylamino)pent-3-en-2-one
SMILESCNC(C)=CC(C)=O
InChIInChI=1S/C6H11NO/c1-5(7-3)4-6(2)8/h4,7H,1-3H3
InChIKeyFNMKFVXIVPDFBL-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds2

About 4-(methylamino)pent-3-en-2-one

4-(methylamino)pent-3-en-2-one (PubChem CID 566954) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4-(methylamino)pent-3-en-2-one.

Molecular Properties

Compound Name4-(methylamino)pent-3-en-2-one
PubChem CID566954
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4-(methylamino)pent-3-en-2-one
SMILESCNC(C)=CC(C)=O
InChIInChI=1S/C6H11NO/c1-5(7-3)4-6(2)8/h4,7H,1-3H3
InChIKeyFNMKFVXIVPDFBL-UHFFFAOYSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
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 4-(methylamino)pent-3-en-2-one?
The IUPAC name of 4-(methylamino)pent-3-en-2-one (CID 566954) is 4-(methylamino)pent-3-en-2-one.
What is the SMILES notation for 4-(methylamino)pent-3-en-2-one?
The canonical SMILES for 4-(methylamino)pent-3-en-2-one is CNC(C)=CC(C)=O.
What is the InChIKey of 4-(methylamino)pent-3-en-2-one?
The InChIKey is FNMKFVXIVPDFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(7-3)4-6(2)8/h4,7H,1-3H3.
What are the key properties of 4-(methylamino)pent-3-en-2-one?
4-(methylamino)pent-3-en-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)pent-3-en-2-one is sourced from PubChem (CID 566954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).