(4-nitrophenyl)methyl prop-2-enyl carbonate

C11H11NO5 — CID 66609999

IUPAC(4-nitrophenyl)methyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11NO5/c1-2-7-16-11(13)17-8-9-3-5-10(6-4-9)12(14)15/h2-6H,1,7-8H2
InChIKeyALWPVSPGTTVIGE-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.43
Rot. Bonds5

About (4-nitrophenyl)methyl prop-2-enyl carbonate

(4-nitrophenyl)methyl prop-2-enyl carbonate (PubChem CID 66609999) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is (4-nitrophenyl)methyl prop-2-enyl carbonate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl prop-2-enyl carbonate
PubChem CID66609999
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name(4-nitrophenyl)methyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11NO5/c1-2-7-16-11(13)17-8-9-3-5-10(6-4-9)12(14)15/h2-6H,1,7-8H2
InChIKeyALWPVSPGTTVIGE-UHFFFAOYSA-N
XLogP2.43
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydrazinyl (4-nitrophenyl)methyl carbonate
CID 54150427
[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate
CID 66614557
(4-nitrophenyl)methoxycarbonyl ethaneperoxoate
CID 162688007
bis[(4-nitrophenyl)methyl] (2R,3R)-2,3-dihydroxybutanedioate
CID 10432242
prop-2-enyl 2-(4-nitrophenyl)-2-oxoacetate
CID 15093892
bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598
2-[carboxylatomethyl-[(4-nitrophenyl)methoxycarbonyl]amino]acetate
CID 7242960
(4-nitrophenyl)methyl (2S)-2-aminopropanoate;hydrobromide
CID 15924095
carbonotrithioic acid;(4-nitrophenyl)methyl hydrogen carbonate
CID 174801367
(4-nitrophenyl)methyl 3-chloro-3-oxopropanoate
CID 71324193
(4-nitrophenyl)methyl (2R)-2-aminopropanoate;hydrobromide
CID 56845406
(4-aminophenyl)methyl acetate;(4-nitrophenyl)methyl acetate
CID 159369560

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl prop-2-enyl carbonate?
The IUPAC name of (4-nitrophenyl)methyl prop-2-enyl carbonate (CID 66609999) is (4-nitrophenyl)methyl prop-2-enyl carbonate.
What is the SMILES notation for (4-nitrophenyl)methyl prop-2-enyl carbonate?
The canonical SMILES for (4-nitrophenyl)methyl prop-2-enyl carbonate is C=CCOC(=O)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)methyl prop-2-enyl carbonate?
The InChIKey is ALWPVSPGTTVIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-2-7-16-11(13)17-8-9-3-5-10(6-4-9)12(14)15/h2-6H,1,7-8H2.
What are the key properties of (4-nitrophenyl)methyl prop-2-enyl carbonate?
(4-nitrophenyl)methyl prop-2-enyl carbonate has a molecular weight of 237.21 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl prop-2-enyl carbonate is sourced from PubChem (CID 66609999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).