[2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate

C14H18N2O4 — CID 71245294

IUPAC[2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O4/c1-14(2,3)15-13(17)20-12-8-11(12)9-4-6-10(7-5-9)16(18)19/h4-7,11-12H,8H2,1-3H3,(H,15,17)
InChIKeyARQKFTISWLVXHJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.98
Rot. Bonds3

About [2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate

[2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate (PubChem CID 71245294) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate
PubChem CID71245294
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O4/c1-14(2,3)15-13(17)20-12-8-11(12)9-4-6-10(7-5-9)16(18)19/h4-7,11-12H,8H2,1-3H3,(H,15,17)
InChIKeyARQKFTISWLVXHJ-UHFFFAOYSA-N
XLogP2.98
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.98
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

tert-butyl N-[(1R,2S)-2-(4-nitrophenyl)cyclopropyl]carbamate
CID 86673141
[2-(4-tert-butylphenyl)cyclopropyl] acetate
CID 175297807
[(3R)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-yl] N-tert-butylcarbamate
CID 91380231
[(1S)-1-[4-(4-nitroanilino)phenyl]ethyl] N-tert-butylcarbamate
CID 175390173
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
[1-(5-nitro-2-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
CID 174683157
N-tert-butyl-4-nitrobenzenecarbothioamide
CID 19003244
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
CID 966380
2-methoxy-N-[[2-(4-nitrophenyl)cyclopropyl]methyl]ethanamine
CID 62712107
methyl 2-methyl-6-(4-nitrophenyl)-4-oxocyclohex-2-ene-1-carboxylate
CID 13237708
N-[[2-(4-nitrophenyl)cyclopropyl]methyl]propan-1-amine
CID 62703868
N-tert-butyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 115605393

Frequently Asked Questions

What is the IUPAC name of [2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate?
The IUPAC name of [2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate (CID 71245294) is [2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate.
What is the SMILES notation for [2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate?
The canonical SMILES for [2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate?
The InChIKey is ARQKFTISWLVXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2,3)15-13(17)20-12-8-11(12)9-4-6-10(7-5-9)16(18)19/h4-7,11-12H,8H2,1-3H3,(H,15,17).
What are the key properties of [2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate?
[2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate has a molecular weight of 278.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-nitrophenyl)cyclopropyl] N-tert-butylcarbamate is sourced from PubChem (CID 71245294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).