prop-2-enyl N-(2-nitrophenyl)carbamate

C10H10N2O4 — CID 127503250

IUPACprop-2-enyl N-(2-nitrophenyl)carbamate
SMILESC=CCOC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O4/c1-2-7-16-10(13)11-8-5-3-4-6-9(8)12(14)15/h2-6H,1,7H2,(H,11,13)
InChIKeyRRVNFVTUDCNLSX-UHFFFAOYSA-N
MW222.20 g/mol
LogP2.33
Rot. Bonds4

About prop-2-enyl N-(2-nitrophenyl)carbamate

prop-2-enyl N-(2-nitrophenyl)carbamate (PubChem CID 127503250) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is prop-2-enyl N-(2-nitrophenyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-nitrophenyl)carbamate
PubChem CID127503250
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Nameprop-2-enyl N-(2-nitrophenyl)carbamate
SMILESC=CCOC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O4/c1-2-7-16-10(13)11-8-5-3-4-6-9(8)12(14)15/h2-6H,1,7H2,(H,11,13)
InChIKeyRRVNFVTUDCNLSX-UHFFFAOYSA-N
XLogP2.33
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(4-oxidomorpholin-4-ium-4-yl)prop-2-enyl N-(2-nitrophenyl)carbamate
CID 174187756
N-cyclohexyl-N-[(E)-3-[(2-nitrophenyl)carbamoyloxy]prop-1-enyl]cyclohexanamine oxide
CID 171059116
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
1-ethoxy-3-(2-nitrophenyl)urea
CID 5118633
[(E)-3-phenylprop-2-enyl] N-(4-methyl-2-nitrophenyl)carbamate
CID 6185348
prop-2-enyl 2-(2-nitrophenyl)propanoate
CID 101449684
1-(2-nitrophenyl)-3-sulfonylurea
CID 87460922
prop-2-enyl N-[3-[(2-nitrophenyl)sulfonylamino]propyl]carbamate
CID 10497545
[2-(2-nitroanilino)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 33254558
1-(2-nitrophenyl)-3-propoxyurea
CID 5118634
prop-2-enyl N-[2-(4-methylanilino)phenyl]carbamate
CID 108745022

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2-nitrophenyl)carbamate?
The IUPAC name of prop-2-enyl N-(2-nitrophenyl)carbamate (CID 127503250) is prop-2-enyl N-(2-nitrophenyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2-nitrophenyl)carbamate?
The canonical SMILES for prop-2-enyl N-(2-nitrophenyl)carbamate is C=CCOC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of prop-2-enyl N-(2-nitrophenyl)carbamate?
The InChIKey is RRVNFVTUDCNLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-2-7-16-10(13)11-8-5-3-4-6-9(8)12(14)15/h2-6H,1,7H2,(H,11,13).
What are the key properties of prop-2-enyl N-(2-nitrophenyl)carbamate?
prop-2-enyl N-(2-nitrophenyl)carbamate has a molecular weight of 222.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2-nitrophenyl)carbamate is sourced from PubChem (CID 127503250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).