3-amino-1-methoxyhex-5-en-2-one

C7H13NO2 — CID 116606882

IUPAC3-amino-1-methoxyhex-5-en-2-one
SMILESC=CCC(N)C(=O)COC
InChIInChI=1S/C7H13NO2/c1-3-4-6(8)7(9)5-10-2/h3,6H,1,4-5,8H2,2H3
InChIKeyHVSYXRXAXKQIRX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.11
Rot. Bonds5

About 3-amino-1-methoxyhex-5-en-2-one

3-amino-1-methoxyhex-5-en-2-one (PubChem CID 116606882) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-amino-1-methoxyhex-5-en-2-one.

Molecular Properties

Compound Name3-amino-1-methoxyhex-5-en-2-one
PubChem CID116606882
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-amino-1-methoxyhex-5-en-2-one
SMILESC=CCC(N)C(=O)COC
InChIInChI=1S/C7H13NO2/c1-3-4-6(8)7(9)5-10-2/h3,6H,1,4-5,8H2,2H3
InChIKeyHVSYXRXAXKQIRX-UHFFFAOYSA-N
XLogP0.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-1-methoxyhex-5-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-ethoxyhex-5-en-2-one
CID 116606832
methyl 2-aminopent-4-enoate
CID 10877146
ethane;methyl (2S)-2-aminopent-4-enoate
CID 143525314
4-aminotetradec-1-en-5-one
CID 116606806
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
4-amino-1-ethylsulfonylhept-6-en-3-one
CID 106736857
3-amino-1,6-dimethoxyhexan-2-one
CID 116593700
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
tert-butyl 2-aminopent-4-enoate;hydrochloride
CID 139035813
(2S)-2-aminopent-4-enoic acid;ethane;(3S)-3-methylhex-5-en-2-one
CID 161452637
5-amino-7-methoxyhept-1-en-4-one
CID 116567168
2-amino-1-(2,6-dimethoxyphenyl)pent-4-en-1-one
CID 116811614

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methoxyhex-5-en-2-one?
The IUPAC name of 3-amino-1-methoxyhex-5-en-2-one (CID 116606882) is 3-amino-1-methoxyhex-5-en-2-one.
What is the SMILES notation for 3-amino-1-methoxyhex-5-en-2-one?
The canonical SMILES for 3-amino-1-methoxyhex-5-en-2-one is C=CCC(N)C(=O)COC.
What is the InChIKey of 3-amino-1-methoxyhex-5-en-2-one?
The InChIKey is HVSYXRXAXKQIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-6(8)7(9)5-10-2/h3,6H,1,4-5,8H2,2H3.
What are the key properties of 3-amino-1-methoxyhex-5-en-2-one?
3-amino-1-methoxyhex-5-en-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methoxyhex-5-en-2-one is sourced from PubChem (CID 116606882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).