(4-morpholin-4-yl-2-nitrophenyl) carbamate

C11H13N3O5 — CID 175004808

IUPAC(4-morpholin-4-yl-2-nitrophenyl) carbamate
SMILESNC(=O)Oc1ccc(N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O5/c12-11(15)19-10-2-1-8(7-9(10)14(16)17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H2,12,15)
InChIKeyXRNZPMKOQCHDHV-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.89
Rot. Bonds3

About (4-morpholin-4-yl-2-nitrophenyl) carbamate

(4-morpholin-4-yl-2-nitrophenyl) carbamate (PubChem CID 175004808) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is (4-morpholin-4-yl-2-nitrophenyl) carbamate.

Molecular Properties

Compound Name(4-morpholin-4-yl-2-nitrophenyl) carbamate
PubChem CID175004808
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name(4-morpholin-4-yl-2-nitrophenyl) carbamate
SMILESNC(=O)Oc1ccc(N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O5/c12-11(15)19-10-2-1-8(7-9(10)14(16)17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H2,12,15)
InChIKeyXRNZPMKOQCHDHV-UHFFFAOYSA-N
XLogP0.89
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(morpholin-4-ylmethyl)-2-nitrophenyl] carbamate
CID 175104763
4-bromo-1-methoxy-2-nitrobenzene;4-(4-methoxy-3-nitrophenyl)morpholine
CID 162166043
1-(4-morpholin-4-yl-2-nitrophenyl)ethanone
CID 104529500
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(4-ethenyl-3-nitrophenyl)morpholine
CID 141147402
(E)-3-(5-morpholin-4-yl-2-nitrophenyl)prop-2-enoic acid
CID 71628737
2-[(4-morpholin-4-yl-2-nitrobenzoyl)amino]acetic acid
CID 2383716
2-chloro-N'-(5-morpholin-4-yl-2-nitrophenyl)ethanimidamide
CID 169367449
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-nitrophenyl)carbamate;4-morpholin-4-yl-2-nitroaniline
CID 160578093
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
(2-nitrophenyl) morpholine-4-carboxylate
CID 895649

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-yl-2-nitrophenyl) carbamate?
The IUPAC name of (4-morpholin-4-yl-2-nitrophenyl) carbamate (CID 175004808) is (4-morpholin-4-yl-2-nitrophenyl) carbamate.
What is the SMILES notation for (4-morpholin-4-yl-2-nitrophenyl) carbamate?
The canonical SMILES for (4-morpholin-4-yl-2-nitrophenyl) carbamate is NC(=O)Oc1ccc(N2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of (4-morpholin-4-yl-2-nitrophenyl) carbamate?
The InChIKey is XRNZPMKOQCHDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c12-11(15)19-10-2-1-8(7-9(10)14(16)17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H2,12,15).
What are the key properties of (4-morpholin-4-yl-2-nitrophenyl) carbamate?
(4-morpholin-4-yl-2-nitrophenyl) carbamate has a molecular weight of 267.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-yl-2-nitrophenyl) carbamate is sourced from PubChem (CID 175004808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).