4-amino-6-methoxy-2-methylhex-1-en-3-one

C8H15NO2 — CID 116567275

IUPAC4-amino-6-methoxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)C(N)CCOC
InChIInChI=1S/C8H15NO2/c1-6(2)8(10)7(9)4-5-11-3/h7H,1,4-5,9H2,2-3H3
InChIKeyYDBWPWNOTKWPIY-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.50
Rot. Bonds5

About 4-amino-6-methoxy-2-methylhex-1-en-3-one

4-amino-6-methoxy-2-methylhex-1-en-3-one (PubChem CID 116567275) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-amino-6-methoxy-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name4-amino-6-methoxy-2-methylhex-1-en-3-one
PubChem CID116567275
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-amino-6-methoxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)C(N)CCOC
InChIInChI=1S/C8H15NO2/c1-6(2)8(10)7(9)4-5-11-3/h7H,1,4-5,9H2,2-3H3
InChIKeyYDBWPWNOTKWPIY-UHFFFAOYSA-N
XLogP0.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 23618824
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tert-butyl (2R)-2-amino-4-methoxybutanoate
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5-amino-8-methoxy-2-methyloct-1-en-4-one
CID 116593842
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
2-cyclopropylethyl 2-amino-4-methoxybutanoate
CID 106202740
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methoxy-2-methylhex-1-en-3-one?
The IUPAC name of 4-amino-6-methoxy-2-methylhex-1-en-3-one (CID 116567275) is 4-amino-6-methoxy-2-methylhex-1-en-3-one.
What is the SMILES notation for 4-amino-6-methoxy-2-methylhex-1-en-3-one?
The canonical SMILES for 4-amino-6-methoxy-2-methylhex-1-en-3-one is C=C(C)C(=O)C(N)CCOC.
What is the InChIKey of 4-amino-6-methoxy-2-methylhex-1-en-3-one?
The InChIKey is YDBWPWNOTKWPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)8(10)7(9)4-5-11-3/h7H,1,4-5,9H2,2-3H3.
What are the key properties of 4-amino-6-methoxy-2-methylhex-1-en-3-one?
4-amino-6-methoxy-2-methylhex-1-en-3-one has a molecular weight of 157.21 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methoxy-2-methylhex-1-en-3-one is sourced from PubChem (CID 116567275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).