(2-nitrophenyl) N-propan-2-ylcarbamate

C10H12N2O4 — CID 11241573

IUPAC(2-nitrophenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-7(2)11-10(13)16-9-6-4-3-5-8(9)12(14)15/h3-7H,1-2H3,(H,11,13)
InChIKeyCTDRMIBQRKTHQG-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.09
Rot. Bonds3

About (2-nitrophenyl) N-propan-2-ylcarbamate

(2-nitrophenyl) N-propan-2-ylcarbamate (PubChem CID 11241573) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2-nitrophenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-nitrophenyl) N-propan-2-ylcarbamate
PubChem CID11241573
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(2-nitrophenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-7(2)11-10(13)16-9-6-4-3-5-8(9)12(14)15/h3-7H,1-2H3,(H,11,13)
InChIKeyCTDRMIBQRKTHQG-UHFFFAOYSA-N
XLogP2.09
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.09
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) 2,2-diphenylacetate
CID 3339760
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
[2-(2-phenylethynyl)phenyl] N-propan-2-ylcarbamate
CID 11507410
5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19446371
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
8-nitro-N-propan-2-ylnaphthalene-1-carboxamide
CID 163233016
ethoxy (2-nitrophenyl) carbonate
CID 88781671
dipropan-2-yl (Z)-2-(2-nitrophenoxy)but-2-enedioate
CID 139983135
(2-nitrophenyl) hexadecanoate
CID 4072416
(2-nitrophenyl) 2-methoxy-2-phenylacetate
CID 10085432
4-methyl-5-(2-nitrophenoxy)-N,1-di(propan-2-yl)pyrazole-3-carboxamide
CID 91633519

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl) N-propan-2-ylcarbamate?
The IUPAC name of (2-nitrophenyl) N-propan-2-ylcarbamate (CID 11241573) is (2-nitrophenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-nitrophenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-nitrophenyl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl) N-propan-2-ylcarbamate?
The InChIKey is CTDRMIBQRKTHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7(2)11-10(13)16-9-6-4-3-5-8(9)12(14)15/h3-7H,1-2H3,(H,11,13).
What are the key properties of (2-nitrophenyl) N-propan-2-ylcarbamate?
(2-nitrophenyl) N-propan-2-ylcarbamate has a molecular weight of 224.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 11241573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).