[(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate

C10H11ClN2O3 — CID 58684209

IUPAC[(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate
SMILESC/C(CN)=N\OC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c1-7(6-12)13-16-10(14)15-9-4-2-8(11)3-5-9/h2-5H,6,12H2,1H3/b13-7+
InChIKeyAJBYJJPUBZQGTR-NTUHNPAUSA-N
MW242.66 g/mol
LogP2.19
Rot. Bonds3

About [(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate

[(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate (PubChem CID 58684209) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is [(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate.

Molecular Properties

Compound Name[(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate
PubChem CID58684209
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name[(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate
SMILESC/C(CN)=N\OC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O3/c1-7(6-12)13-16-10(14)15-9-4-2-8(11)3-5-9/h2-5H,6,12H2,1H3/b13-7+
InChIKeyAJBYJJPUBZQGTR-NTUHNPAUSA-N
XLogP2.19
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl) acetate
CID 13410
potassium;(4-chlorophenyl) 2-aminoacetate;hydride
CID 174962254
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
(4-chlorophenyl) 2-hydroxyethyl carbonate
CID 54130253
(4-chlorophenyl) 2,3-dihydroxypropanoate
CID 23616443
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
[(E)-1-aminopropan-2-ylideneamino] 4-methylbenzoate
CID 58684261
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
(4-chlorophenyl) 2-aminoethylsulfanylformate
CID 581940
[4-(aminomethyl)phenyl] 4-chlorobenzoate;ethane
CID 144735667
bis[4-[1-(4-chlorophenyl)ethenyl]phenyl] carbonate
CID 141266892

Frequently Asked Questions

What is the IUPAC name of [(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate?
The IUPAC name of [(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate (CID 58684209) is [(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate.
What is the SMILES notation for [(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate?
The canonical SMILES for [(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate is C/C(CN)=N\OC(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of [(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate?
The InChIKey is AJBYJJPUBZQGTR-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-7(6-12)13-16-10(14)15-9-4-2-8(11)3-5-9/h2-5H,6,12H2,1H3/b13-7+.
What are the key properties of [(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate?
[(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate has a molecular weight of 242.66 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-aminopropan-2-ylideneamino] (4-chlorophenyl) carbonate is sourced from PubChem (CID 58684209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).