(4-nitrophenyl)methyl N-cyclopentylcarbamate

C13H16N2O4 — CID 142246098

IUPAC(4-nitrophenyl)methyl N-cyclopentylcarbamate
SMILESO=C(NC1CCCC1)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H16N2O4/c16-13(14-11-3-1-2-4-11)19-9-10-5-7-12(8-6-10)15(17)18/h5-8,11H,1-4,9H2,(H,14,16)
InChIKeyZMAKXHLENWCYSJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.76
Rot. Bonds4

About (4-nitrophenyl)methyl N-cyclopentylcarbamate

(4-nitrophenyl)methyl N-cyclopentylcarbamate (PubChem CID 142246098) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (4-nitrophenyl)methyl N-cyclopentylcarbamate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl N-cyclopentylcarbamate
PubChem CID142246098
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(4-nitrophenyl)methyl N-cyclopentylcarbamate
SMILESO=C(NC1CCCC1)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H16N2O4/c16-13(14-11-3-1-2-4-11)19-9-10-5-7-12(8-6-10)15(17)18/h5-8,11H,1-4,9H2,(H,14,16)
InChIKeyZMAKXHLENWCYSJ-UHFFFAOYSA-N
XLogP2.76
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.76
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

4-[(4-chlorophenyl)methyl]piperidine;(4-nitrophenyl)methyl N-cyclopentylcarbamate
CID 142246097
(4-nitrophenyl)methyl N-(1-prop-2-enylpyrrolidin-3-yl)carbamate
CID 67733624
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 8851361
(4-nitrophenyl)methyl N-[(4-nitrophenyl)methyl]carbamate
CID 158564430
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
benzyl N-[(1S,2S)-2-[(4-nitrophenyl)sulfonylamino]cyclohexyl]carbamate
CID 177357731
(4-nitrophenyl)methyl N-[(1R,3R,4S)-3-propan-2-yl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 162785494
bis[(4-nitrophenyl)methyl] (2R,3R)-2,3-dihydroxybutanedioate
CID 10432242
(4-nitrophenyl) 2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate
CID 18954401
benzyl 4-[(4-nitrophenoxy)carbonylamino]piperidine-1-carboxylate
CID 139373838
N-cyclododecyl-4-nitrobenzamide
CID 19168070

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl N-cyclopentylcarbamate?
The IUPAC name of (4-nitrophenyl)methyl N-cyclopentylcarbamate (CID 142246098) is (4-nitrophenyl)methyl N-cyclopentylcarbamate.
What is the SMILES notation for (4-nitrophenyl)methyl N-cyclopentylcarbamate?
The canonical SMILES for (4-nitrophenyl)methyl N-cyclopentylcarbamate is O=C(NC1CCCC1)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)methyl N-cyclopentylcarbamate?
The InChIKey is ZMAKXHLENWCYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-13(14-11-3-1-2-4-11)19-9-10-5-7-12(8-6-10)15(17)18/h5-8,11H,1-4,9H2,(H,14,16).
What are the key properties of (4-nitrophenyl)methyl N-cyclopentylcarbamate?
(4-nitrophenyl)methyl N-cyclopentylcarbamate has a molecular weight of 264.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl N-cyclopentylcarbamate is sourced from PubChem (CID 142246098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).