(E)-9-amino-4-methoxynon-4-ene-3,6-dione

C10H17NO3 — CID 166938147

IUPAC(E)-9-amino-4-methoxynon-4-ene-3,6-dione
SMILESCCC(=O)/C(=C\C(=O)CCCN)OC
InChIInChI=1S/C10H17NO3/c1-3-9(13)10(14-2)7-8(12)5-4-6-11/h7H,3-6,11H2,1-2H3/b10-7+
InChIKeySQVXVRAZEKUWEU-JXMROGBWSA-N
MW199.25 g/mol
LogP0.80
Rot. Bonds7

About (E)-9-amino-4-methoxynon-4-ene-3,6-dione

(E)-9-amino-4-methoxynon-4-ene-3,6-dione (PubChem CID 166938147) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (E)-9-amino-4-methoxynon-4-ene-3,6-dione.

Molecular Properties

Compound Name(E)-9-amino-4-methoxynon-4-ene-3,6-dione
PubChem CID166938147
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(E)-9-amino-4-methoxynon-4-ene-3,6-dione
SMILESCCC(=O)/C(=C\C(=O)CCCN)OC
InChIInChI=1S/C10H17NO3/c1-3-9(13)10(14-2)7-8(12)5-4-6-11/h7H,3-6,11H2,1-2H3/b10-7+
InChIKeySQVXVRAZEKUWEU-JXMROGBWSA-N
XLogP0.80
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-8-(methylamino)oct-3-en-2-one
CID 123571004
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648288
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
CID 102648435
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648441
4-Amino-1-(4,5-dihydrofuran-2-yl)butan-1-one
CID 102652411

Frequently Asked Questions

What is the IUPAC name of (E)-9-amino-4-methoxynon-4-ene-3,6-dione?
The IUPAC name of (E)-9-amino-4-methoxynon-4-ene-3,6-dione (CID 166938147) is (E)-9-amino-4-methoxynon-4-ene-3,6-dione.
What is the SMILES notation for (E)-9-amino-4-methoxynon-4-ene-3,6-dione?
The canonical SMILES for (E)-9-amino-4-methoxynon-4-ene-3,6-dione is CCC(=O)/C(=C\C(=O)CCCN)OC.
What is the InChIKey of (E)-9-amino-4-methoxynon-4-ene-3,6-dione?
The InChIKey is SQVXVRAZEKUWEU-JXMROGBWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-9(13)10(14-2)7-8(12)5-4-6-11/h7H,3-6,11H2,1-2H3/b10-7+.
What are the key properties of (E)-9-amino-4-methoxynon-4-ene-3,6-dione?
(E)-9-amino-4-methoxynon-4-ene-3,6-dione has a molecular weight of 199.25 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-amino-4-methoxynon-4-ene-3,6-dione is sourced from PubChem (CID 166938147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).