4-amino-7-methoxyhept-1-en-3-one

C8H15NO2 — CID 116593727

IUPAC4-amino-7-methoxyhept-1-en-3-one
SMILESC=CC(=O)C(N)CCCOC
InChIInChI=1S/C8H15NO2/c1-3-8(10)7(9)5-4-6-11-2/h3,7H,1,4-6,9H2,2H3
InChIKeyIZWHMVDFNSBFMQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.50
Rot. Bonds6

About 4-amino-7-methoxyhept-1-en-3-one

4-amino-7-methoxyhept-1-en-3-one (PubChem CID 116593727) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-amino-7-methoxyhept-1-en-3-one.

Molecular Properties

Compound Name4-amino-7-methoxyhept-1-en-3-one
PubChem CID116593727
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-amino-7-methoxyhept-1-en-3-one
SMILESC=CC(=O)C(N)CCCOC
InChIInChI=1S/C8H15NO2/c1-3-8(10)7(9)5-4-6-11-2/h3,7H,1,4-6,9H2,2H3
InChIKeyIZWHMVDFNSBFMQ-UHFFFAOYSA-N
XLogP0.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methoxypentanoic acid
CID 18361135
3-amino-1,6-dimethoxyhexan-2-one
CID 116593700
4-aminononadec-1-en-3-one
CID 141408197
4-aminotridec-1-en-3-one
CID 168863817
5-amino-8-methoxy-2-methyloct-1-en-4-one
CID 116593842
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
4,4-bis(2-methoxyethoxy)butyl prop-2-enoate
CID 87318411
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
4-methoxybutyl prop-2-enoate
CID 22321356
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
2-amino-N-(2-hydroxyethyl)-5-methoxy-N-methylpentanamide
CID 81082818

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methoxyhept-1-en-3-one?
The IUPAC name of 4-amino-7-methoxyhept-1-en-3-one (CID 116593727) is 4-amino-7-methoxyhept-1-en-3-one.
What is the SMILES notation for 4-amino-7-methoxyhept-1-en-3-one?
The canonical SMILES for 4-amino-7-methoxyhept-1-en-3-one is C=CC(=O)C(N)CCCOC.
What is the InChIKey of 4-amino-7-methoxyhept-1-en-3-one?
The InChIKey is IZWHMVDFNSBFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-8(10)7(9)5-4-6-11-2/h3,7H,1,4-6,9H2,2H3.
What are the key properties of 4-amino-7-methoxyhept-1-en-3-one?
4-amino-7-methoxyhept-1-en-3-one has a molecular weight of 157.21 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methoxyhept-1-en-3-one is sourced from PubChem (CID 116593727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).