4-amino-5-methoxyhex-5-en-2-one

C7H13NO2 — CID 123447275

IUPAC4-amino-5-methoxyhex-5-en-2-one
SMILESC=C(OC)C(N)CC(C)=O
InChIInChI=1S/C7H13NO2/c1-5(9)4-7(8)6(2)10-3/h7H,2,4,8H2,1,3H3
InChIKeyGEQWPULQAMWPGS-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.45
Rot. Bonds4

About 4-amino-5-methoxyhex-5-en-2-one

4-amino-5-methoxyhex-5-en-2-one (PubChem CID 123447275) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-amino-5-methoxyhex-5-en-2-one.

Molecular Properties

Compound Name4-amino-5-methoxyhex-5-en-2-one
PubChem CID123447275
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-amino-5-methoxyhex-5-en-2-one
SMILESC=C(OC)C(N)CC(C)=O
InChIInChI=1S/C7H13NO2/c1-5(9)4-7(8)6(2)10-3/h7H,2,4,8H2,1,3H3
InChIKeyGEQWPULQAMWPGS-UHFFFAOYSA-N
XLogP0.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methylidenehepta-1,6-dien-3-amine
CID 156745575
2-methoxyethyl 2-amino-4-oxopentanoate
CID 58554581
(2S)-2-amino-4-oxopentanoic acid;benzene
CID 143542202
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
pentyl 2-amino-4-oxopentanoate
CID 154083571
3,3-dimethylbutyl 2-amino-4-oxopentanoate
CID 150524137
methyl 2-(carbamoylamino)-4-methylpent-4-enoate
CID 86744408
ethyl (2R)-2-amino-4-methylpent-4-enoate
CID 14163093
dimethyl 2-(2-methylidene-3-oxobutyl)propanedioate
CID 12813381
methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 14043
dimethyl (2R)-2-aminobutanedioate
CID 6994535
hexyl 2-amino-4-oxopentanoate
CID 87214543

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methoxyhex-5-en-2-one?
The IUPAC name of 4-amino-5-methoxyhex-5-en-2-one (CID 123447275) is 4-amino-5-methoxyhex-5-en-2-one.
What is the SMILES notation for 4-amino-5-methoxyhex-5-en-2-one?
The canonical SMILES for 4-amino-5-methoxyhex-5-en-2-one is C=C(OC)C(N)CC(C)=O.
What is the InChIKey of 4-amino-5-methoxyhex-5-en-2-one?
The InChIKey is GEQWPULQAMWPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(9)4-7(8)6(2)10-3/h7H,2,4,8H2,1,3H3.
What are the key properties of 4-amino-5-methoxyhex-5-en-2-one?
4-amino-5-methoxyhex-5-en-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methoxyhex-5-en-2-one is sourced from PubChem (CID 123447275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).