1-(2-nitrophenyl)ethyl carbamate

C9H10N2O4 — CID 20978323

IUPAC1-(2-nitrophenyl)ethyl carbamate
SMILESCC(OC(N)=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-6(15-9(10)12)7-4-2-3-5-8(7)11(13)14/h2-6H,1H3,(H2,10,12)
InChIKeyYMBJMIHNJMMLQR-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.75
Rot. Bonds3

About 1-(2-nitrophenyl)ethyl carbamate

1-(2-nitrophenyl)ethyl carbamate (PubChem CID 20978323) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(2-nitrophenyl)ethyl carbamate.

Molecular Properties

Compound Name1-(2-nitrophenyl)ethyl carbamate
PubChem CID20978323
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-(2-nitrophenyl)ethyl carbamate
SMILESCC(OC(N)=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-6(15-9(10)12)7-4-2-3-5-8(7)11(13)14/h2-6H,1H3,(H2,10,12)
InChIKeyYMBJMIHNJMMLQR-UHFFFAOYSA-N
XLogP1.75
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)ethyl carbamate?
The IUPAC name of 1-(2-nitrophenyl)ethyl carbamate (CID 20978323) is 1-(2-nitrophenyl)ethyl carbamate.
What is the SMILES notation for 1-(2-nitrophenyl)ethyl carbamate?
The canonical SMILES for 1-(2-nitrophenyl)ethyl carbamate is CC(OC(N)=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)ethyl carbamate?
The InChIKey is YMBJMIHNJMMLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-6(15-9(10)12)7-4-2-3-5-8(7)11(13)14/h2-6H,1H3,(H2,10,12).
What are the key properties of 1-(2-nitrophenyl)ethyl carbamate?
1-(2-nitrophenyl)ethyl carbamate has a molecular weight of 210.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)ethyl carbamate is sourced from PubChem (CID 20978323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).