(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one

C14H19NO2 — CID 10243078

IUPAC(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one
SMILESCC(C)(C)C(=O)/C=C\NOCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)13(16)9-10-15-17-11-12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3/b10-9-
InChIKeyYMJZKOAQZDISAW-KTKRTIGZSA-N
MW233.31 g/mol
LogP2.84
Rot. Bonds5

About (Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one

(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one (PubChem CID 10243078) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one.

Molecular Properties

Compound Name(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one
PubChem CID10243078
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one
SMILESCC(C)(C)C(=O)/C=C\NOCc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)13(16)9-10-15-17-11-12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3/b10-9-
InChIKeyYMJZKOAQZDISAW-KTKRTIGZSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.84
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one?
The IUPAC name of (Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one (CID 10243078) is (Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one.
What is the SMILES notation for (Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one?
The canonical SMILES for (Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one is CC(C)(C)C(=O)/C=C\NOCc1ccccc1.
What is the InChIKey of (Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one?
The InChIKey is YMJZKOAQZDISAW-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)13(16)9-10-15-17-11-12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3/b10-9-.
What are the key properties of (Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one?
(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one has a molecular weight of 233.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one is sourced from PubChem (CID 10243078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).