N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide

C12H14N2O3 — CID 163524571

IUPACN-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide
SMILESC=C[NH+]([O-])C(=O)c1cccc(OC2CC2)c1N
InChIInChI=1S/C12H14N2O3/c1-2-14(16)12(15)9-4-3-5-10(11(9)13)17-8-6-7-8/h2-5,8,14H,1,6-7,13H2
InChIKeyDNQTUZNDICYNCV-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.48
Rot. Bonds4

About N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide

N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide (PubChem CID 163524571) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide.

Molecular Properties

Compound NameN-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide
PubChem CID163524571
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide
SMILESC=C[NH+]([O-])C(=O)c1cccc(OC2CC2)c1N
InChIInChI=1S/C12H14N2O3/c1-2-14(16)12(15)9-4-3-5-10(11(9)13)17-8-6-7-8/h2-5,8,14H,1,6-7,13H2
InChIKeyDNQTUZNDICYNCV-UHFFFAOYSA-N
XLogP0.48
TPSA79.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
CID 90086550
[4-(2,3-diaminophenoxy)cyclohexyl] prop-2-enoate
CID 141212660
1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone
CID 90082972
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide
CID 114341723
2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide
CID 113333363
2-amino-3-(3-methylcyclohexyl)oxybenzamide
CID 115547097
2-amino-3-(oxolan-3-yloxy)benzoic acid
CID 115547271
(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 107469288
1-[2-(4-aminocyclohexyl)oxyphenyl]ethanone
CID 117051794
2-(4-propan-2-ylcyclohexyl)oxybenzoic acid
CID 70444480
3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
CID 117312431

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide?
The IUPAC name of N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide (CID 163524571) is N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide.
What is the SMILES notation for N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide?
The canonical SMILES for N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide is C=C[NH+]([O-])C(=O)c1cccc(OC2CC2)c1N.
What is the InChIKey of N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide?
The InChIKey is DNQTUZNDICYNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-14(16)12(15)9-4-3-5-10(11(9)13)17-8-6-7-8/h2-5,8,14H,1,6-7,13H2.
What are the key properties of N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide?
N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide has a molecular weight of 234.25 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide is sourced from PubChem (CID 163524571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).