(Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one

C13H17NO2 — CID 823186

IUPAC(Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one
SMILESCOC(C)(C)/C=C(\N)C(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(2,16-3)9-11(14)12(15)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3/b11-9-
InChIKeySXEIDOPZFKYNBU-LUAWRHEFSA-N
MW219.28 g/mol
LogP2.14
Rot. Bonds4

About (Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one

(Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one (PubChem CID 823186) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one
PubChem CID823186
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one
SMILESCOC(C)(C)/C=C(\N)C(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(2,16-3)9-11(14)12(15)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3/b11-9-
InChIKeySXEIDOPZFKYNBU-LUAWRHEFSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one?
The IUPAC name of (Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one (CID 823186) is (Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one.
What is the SMILES notation for (Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one?
The canonical SMILES for (Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one is COC(C)(C)/C=C(\N)C(=O)c1ccccc1.
What is the InChIKey of (Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one?
The InChIKey is SXEIDOPZFKYNBU-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,16-3)9-11(14)12(15)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3/b11-9-.
What are the key properties of (Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one?
(Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one is sourced from PubChem (CID 823186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).