(2-nitrophenyl)methyl carbamate

C8H8N2O4 — CID 21490181

IUPAC(2-nitrophenyl)methyl carbamate
SMILESNC(=O)OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O4/c9-8(11)14-5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2,(H2,9,11)
InChIKeySWHAGWLVMRLFKO-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.19
Rot. Bonds3

About (2-nitrophenyl)methyl carbamate

(2-nitrophenyl)methyl carbamate (PubChem CID 21490181) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is (2-nitrophenyl)methyl carbamate.

Molecular Properties

Compound Name(2-nitrophenyl)methyl carbamate
PubChem CID21490181
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name(2-nitrophenyl)methyl carbamate
SMILESNC(=O)OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O4/c9-8(11)14-5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2,(H2,9,11)
InChIKeySWHAGWLVMRLFKO-UHFFFAOYSA-N
XLogP1.19
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.19
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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Related Compounds

(2-nitrophenyl)methyl 2,2-dihydroxyacetate
CID 70483540
2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267
(2-nitrophenyl)methyl deuteriophosphanylformate
CID 59423019
(2-nitrophenyl)methyl 2-phenylacetate
CID 2752985
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
bis[(2-nitrophenyl)methyl] piperazine-1,4-dicarboxylate
CID 87193432
[2-(carbamoyloxymethyl)phenyl]methyl carbamate
CID 23175354
(2-nitrophenyl)methyl 4-bromo-3,5-dinitrobenzoate
CID 126189108
(2-nitrophenyl)methoxymethanamine
CID 175012109
(Z)-3-ethyl-4-[(2-nitrophenyl)methoxy]pent-3-en-2-one
CID 153333064
(2-nitrophenyl)methyl naphthalene-1-carboxylate
CID 4572796
(2-nitrophenyl)methyl 3,4-dimethoxybenzoate
CID 3965784

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methyl carbamate?
The IUPAC name of (2-nitrophenyl)methyl carbamate (CID 21490181) is (2-nitrophenyl)methyl carbamate.
What is the SMILES notation for (2-nitrophenyl)methyl carbamate?
The canonical SMILES for (2-nitrophenyl)methyl carbamate is NC(=O)OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl)methyl carbamate?
The InChIKey is SWHAGWLVMRLFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c9-8(11)14-5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2,(H2,9,11).
What are the key properties of (2-nitrophenyl)methyl carbamate?
(2-nitrophenyl)methyl carbamate has a molecular weight of 196.16 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methyl carbamate is sourced from PubChem (CID 21490181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).