[(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate

C11H12N2O5 — CID 20775674

IUPAC[(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)O[C@H]1CCOC1
InChIInChI=1S/C11H12N2O5/c14-11(18-10-5-6-17-7-10)12-8-1-3-9(4-2-8)13(15)16/h1-4,10H,5-7H2,(H,12,14)/t10-/m0/s1
InChIKeyWEGPRDUHDAISNB-JTQLQIEISA-N
MW252.23 g/mol
LogP1.93
Rot. Bonds3

About [(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate

[(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate (PubChem CID 20775674) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate
PubChem CID20775674
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name[(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)O[C@H]1CCOC1
InChIInChI=1S/C11H12N2O5/c14-11(18-10-5-6-17-7-10)12-8-1-3-9(4-2-8)13(15)16/h1-4,10H,5-7H2,(H,12,14)/t10-/m0/s1
InChIKeyWEGPRDUHDAISNB-JTQLQIEISA-N
XLogP1.93
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

piperidin-4-yl N-(4-nitrophenyl)carbamate
CID 79337999
(3R)-oxolan-3-ol;[(3R)-oxolan-3-yl] 4-nitrobenzoate
CID 160721887
[4-(cyclohexyloxycarbonylamino)phenyl]methyl (4-nitrophenyl) carbonate
CID 172551586
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
1-(4-nitrophenyl)-3-(oxetan-3-yl)urea
CID 113415274
oxetan-3-yl N-phenylcarbamate
CID 54313632
2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
CID 177431935
4-(4-nitrophenoxy)oxane
CID 118705229
1-[5-nitro-2-(oxolan-3-yloxy)phenyl]ethanone
CID 63556464
4-nitro-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113350229
oxolan-3-yl 2-chloro-5-nitropyridine-3-carboxylate
CID 114047981

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate?
The IUPAC name of [(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate (CID 20775674) is [(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate.
What is the SMILES notation for [(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate?
The canonical SMILES for [(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate is O=C(Nc1ccc([N+](=O)[O-])cc1)O[C@H]1CCOC1.
What is the InChIKey of [(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate?
The InChIKey is WEGPRDUHDAISNB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2O5/c14-11(18-10-5-6-17-7-10)12-8-1-3-9(4-2-8)13(15)16/h1-4,10H,5-7H2,(H,12,14)/t10-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate?
[(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate has a molecular weight of 252.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] N-(4-nitrophenyl)carbamate is sourced from PubChem (CID 20775674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).