2-(methylideneamino)propyl benzoate

C11H13NO2 — CID 175865411

IUPAC2-(methylideneamino)propyl benzoate
SMILESC=NC(C)COC(=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-9(12-2)8-14-11(13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyAKTZDPGVCHPOSZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.93
Rot. Bonds4

About 2-(methylideneamino)propyl benzoate

2-(methylideneamino)propyl benzoate (PubChem CID 175865411) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(methylideneamino)propyl benzoate.

Molecular Properties

Compound Name2-(methylideneamino)propyl benzoate
PubChem CID175865411
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(methylideneamino)propyl benzoate
SMILESC=NC(C)COC(=O)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-9(12-2)8-14-11(13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChIKeyAKTZDPGVCHPOSZ-UHFFFAOYSA-N
XLogP1.93
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
[(2R)-2-phenylpropyl] benzoate
CID 101021839
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
1-benzoyloxypropan-2-yl(trimethyl)azanium
CID 24833435
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
2-[2-[2-(2-benzoyloxypropoxy)propoxy]propoxy]propyl benzoate
CID 22461914
2-(2-ethoxypropoxy)propyl benzoate
CID 155435285
(3-fluoro-2-methylpentyl) benzoate
CID 90717890
(2-hydroxy-2-propan-2-yloxyethyl) benzoate
CID 162371835
[(2S)-2-(ethylamino)propyl] benzoate
CID 90069288
4-(benzoyloxymethyl)-5-hydroxyhexanoic acid
CID 171380366

Frequently Asked Questions

What is the IUPAC name of 2-(methylideneamino)propyl benzoate?
The IUPAC name of 2-(methylideneamino)propyl benzoate (CID 175865411) is 2-(methylideneamino)propyl benzoate.
What is the SMILES notation for 2-(methylideneamino)propyl benzoate?
The canonical SMILES for 2-(methylideneamino)propyl benzoate is C=NC(C)COC(=O)c1ccccc1.
What is the InChIKey of 2-(methylideneamino)propyl benzoate?
The InChIKey is AKTZDPGVCHPOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(12-2)8-14-11(13)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3.
What are the key properties of 2-(methylideneamino)propyl benzoate?
2-(methylideneamino)propyl benzoate has a molecular weight of 191.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)propyl benzoate is sourced from PubChem (CID 175865411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).