prop-2-enyl 4-(aminomethoxy)benzoate

C11H13NO3 — CID 156663143

IUPACprop-2-enyl 4-(aminomethoxy)benzoate
SMILESC=CCOC(=O)c1ccc(OCN)cc1
InChIInChI=1S/C11H13NO3/c1-2-7-14-11(13)9-3-5-10(6-4-9)15-8-12/h2-6H,1,7-8,12H2
InChIKeyZVAKEEKPWAEUQZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.32
Rot. Bonds5

About prop-2-enyl 4-(aminomethoxy)benzoate

prop-2-enyl 4-(aminomethoxy)benzoate (PubChem CID 156663143) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is prop-2-enyl 4-(aminomethoxy)benzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-(aminomethoxy)benzoate
PubChem CID156663143
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameprop-2-enyl 4-(aminomethoxy)benzoate
SMILESC=CCOC(=O)c1ccc(OCN)cc1
InChIInChI=1S/C11H13NO3/c1-2-7-14-11(13)9-3-5-10(6-4-9)15-8-12/h2-6H,1,7-8,12H2
InChIKeyZVAKEEKPWAEUQZ-UHFFFAOYSA-N
XLogP1.32
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 90322332
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
prop-2-enyl 4-(4-bromophenyl)benzoate
CID 67763944
(4-hydroxyphenyl)methyl 4-prop-2-enoxybenzoate
CID 175436244
formic acid;prop-2-enyl benzoate
CID 174813743
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
prop-2-enyl 6-(iodomethyl)pyridine-3-carboxylate
CID 89117695
prop-2-enyl furan-3-carboxylate
CID 45090099
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(aminomethoxy)benzoate?
The IUPAC name of prop-2-enyl 4-(aminomethoxy)benzoate (CID 156663143) is prop-2-enyl 4-(aminomethoxy)benzoate.
What is the SMILES notation for prop-2-enyl 4-(aminomethoxy)benzoate?
The canonical SMILES for prop-2-enyl 4-(aminomethoxy)benzoate is C=CCOC(=O)c1ccc(OCN)cc1.
What is the InChIKey of prop-2-enyl 4-(aminomethoxy)benzoate?
The InChIKey is ZVAKEEKPWAEUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-7-14-11(13)9-3-5-10(6-4-9)15-8-12/h2-6H,1,7-8,12H2.
What are the key properties of prop-2-enyl 4-(aminomethoxy)benzoate?
prop-2-enyl 4-(aminomethoxy)benzoate has a molecular weight of 207.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(aminomethoxy)benzoate is sourced from PubChem (CID 156663143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).