(2E)-2-phenylmethoxyiminopropanamide

C10H12N2O2 — CID 6108919

IUPAC(2E)-2-phenylmethoxyiminopropanamide
SMILESC/C(=N\OCc1ccccc1)C(N)=O
InChIInChI=1S/C10H12N2O2/c1-8(10(11)13)12-14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,11,13)/b12-8+
InChIKeyUSTODXXHEFIDFN-XYOKQWHBSA-N
MW192.22 g/mol
LogP1.06
Rot. Bonds4

About (2E)-2-phenylmethoxyiminopropanamide

(2E)-2-phenylmethoxyiminopropanamide (PubChem CID 6108919) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (2E)-2-phenylmethoxyiminopropanamide.

Molecular Properties

Compound Name(2E)-2-phenylmethoxyiminopropanamide
PubChem CID6108919
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(2E)-2-phenylmethoxyiminopropanamide
SMILESC/C(=N\OCc1ccccc1)C(N)=O
InChIInChI=1S/C10H12N2O2/c1-8(10(11)13)12-14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,11,13)/b12-8+
InChIKeyUSTODXXHEFIDFN-XYOKQWHBSA-N
XLogP1.06
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-amino-2-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]but-2-enoate
CID 59166619
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
benzyl acetate;carbamic acid
CID 159542161
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
benzyl acetate
CID 8785
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
acetic acid;phenylmethoxymethylbenzene
CID 175214238
benzyl acetate;molecular nitrogen
CID 174861862
N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine
CID 135521882
benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate
CID 15829080

Frequently Asked Questions

What is the IUPAC name of (2E)-2-phenylmethoxyiminopropanamide?
The IUPAC name of (2E)-2-phenylmethoxyiminopropanamide (CID 6108919) is (2E)-2-phenylmethoxyiminopropanamide.
What is the SMILES notation for (2E)-2-phenylmethoxyiminopropanamide?
The canonical SMILES for (2E)-2-phenylmethoxyiminopropanamide is C/C(=N\OCc1ccccc1)C(N)=O.
What is the InChIKey of (2E)-2-phenylmethoxyiminopropanamide?
The InChIKey is USTODXXHEFIDFN-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8(10(11)13)12-14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,11,13)/b12-8+.
What are the key properties of (2E)-2-phenylmethoxyiminopropanamide?
(2E)-2-phenylmethoxyiminopropanamide has a molecular weight of 192.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-phenylmethoxyiminopropanamide is sourced from PubChem (CID 6108919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).