(Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one

C10H17NO3 — CID 163652264

IUPAC(Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)(C)N=O)C(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)8(14-5)6-9(12)10(3,4)11-13/h6-7H,1-5H3/b8-6-
InChIKeyINEWYPGTPZOIPF-VURMDHGXSA-N
MW199.25 g/mol
LogP2.29
Rot. Bonds5

About (Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one

(Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one (PubChem CID 163652264) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one
PubChem CID163652264
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)(C)N=O)C(C)C
InChIInChI=1S/C10H17NO3/c1-7(2)8(14-5)6-9(12)10(3,4)11-13/h6-7H,1-5H3/b8-6-
InChIKeyINEWYPGTPZOIPF-VURMDHGXSA-N
XLogP2.29
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one?
The IUPAC name of (Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one (CID 163652264) is (Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one.
What is the SMILES notation for (Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one?
The canonical SMILES for (Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one is CO/C(=C\C(=O)C(C)(C)N=O)C(C)C.
What is the InChIKey of (Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one?
The InChIKey is INEWYPGTPZOIPF-VURMDHGXSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)8(14-5)6-9(12)10(3,4)11-13/h6-7H,1-5H3/b8-6-.
What are the key properties of (Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one?
(Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one has a molecular weight of 199.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methoxy-2,6-dimethyl-2-nitrosohept-4-en-3-one is sourced from PubChem (CID 163652264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).