cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate

C13H16N2O4 — CID 4548221

IUPACcyclopentyl N-(4-methyl-2-nitrophenyl)carbamate
SMILESCc1ccc(NC(=O)OC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16N2O4/c1-9-6-7-11(12(8-9)15(17)18)14-13(16)19-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)
InChIKeyROHWNPCBNLMKAD-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.39
Rot. Bonds3

About cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate

cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate (PubChem CID 4548221) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-(4-methyl-2-nitrophenyl)carbamate
PubChem CID4548221
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namecyclopentyl N-(4-methyl-2-nitrophenyl)carbamate
SMILESCc1ccc(NC(=O)OC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16N2O4/c1-9-6-7-11(12(8-9)15(17)18)14-13(16)19-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)
InChIKeyROHWNPCBNLMKAD-UHFFFAOYSA-N
XLogP3.39
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.39
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

cyclohexyl 2-(4-methyl-2-nitroanilino)acetate
CID 133389893
cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 112738572
cyclohexyl N-(2,5-dimethylphenyl)carbamate
CID 3262624
(2S)-N-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031
[(E)-[(2Z)-2-[(4-methyl-2-nitrophenyl)carbamoyloxyimino]ethylidene]amino] N-(4-methyl-2-nitrophenyl)carbamate
CID 51064197
methyl 4-(4-methyl-2-nitroanilino)cyclohexane-1-carboxylate
CID 115671751
[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] cyclopentanecarboxylate
CID 7717469
ethyl N-(4-methyl-2-nitrophenyl)carbamate;4-methyl-2-nitroaniline
CID 87985494
tert-butyl N-[4-(4-methyl-2-nitroanilino)cyclohexyl]carbamate
CID 66877331
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate?
The IUPAC name of cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate (CID 4548221) is cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate.
What is the SMILES notation for cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate?
The canonical SMILES for cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate is Cc1ccc(NC(=O)OC2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate?
The InChIKey is ROHWNPCBNLMKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9-6-7-11(12(8-9)15(17)18)14-13(16)19-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16).
What are the key properties of cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate?
cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate has a molecular weight of 264.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(4-methyl-2-nitrophenyl)carbamate is sourced from PubChem (CID 4548221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).