(E)-N-(4-nitrophenoxy)butan-2-imine

C10H12N2O3 — CID 11333252

IUPAC(E)-N-(4-nitrophenoxy)butan-2-imine
SMILESCC/C(C)=N/Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O3/c1-3-8(2)11-15-10-6-4-9(5-7-10)12(13)14/h4-7H,3H2,1-2H3/b11-8+
InChIKeyZXNXVADFXIXDEB-DHZHZOJOSA-N
MW208.22 g/mol
LogP2.76
Rot. Bonds4

About (E)-N-(4-nitrophenoxy)butan-2-imine

(E)-N-(4-nitrophenoxy)butan-2-imine (PubChem CID 11333252) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (E)-N-(4-nitrophenoxy)butan-2-imine.

Molecular Properties

Compound Name(E)-N-(4-nitrophenoxy)butan-2-imine
PubChem CID11333252
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(E)-N-(4-nitrophenoxy)butan-2-imine
SMILESCC/C(C)=N/Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O3/c1-3-8(2)11-15-10-6-4-9(5-7-10)12(13)14/h4-7H,3H2,1-2H3/b11-8+
InChIKeyZXNXVADFXIXDEB-DHZHZOJOSA-N
XLogP2.76
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-benzyl-N-(furan-2-ylmethyl)-2-(4-nitrophenoxy)iminopropan-1-amine
CID 58319826
N-ethoxy-1-(4-nitrophenyl)ethanimine
CID 75864218
1-(iodomethoxy)-4-nitrobenzene
CID 70647757
acetic acid;(4-nitrophenyl) hydrogen carbonate
CID 175389451
(4-nitrophenyl) ethaneperoxoate
CID 14923215
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
acetyl 3-(4-nitrophenoxy)propanoate
CID 174384250
[N-ethyl-C-(4-nitrophenyl)carbonimidoyl] acetate
CID 102270130
1-[1-hydroxy-1-(4-nitrophenoxy)propoxy]-1-(4-nitrophenoxy)propan-1-ol
CID 88789772
N,N-bis[(4-nitrophenoxy)methyl]acetamide
CID 4167536
1-hexan-3-yloxy-4-nitrobenzene
CID 147757571

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-nitrophenoxy)butan-2-imine?
The IUPAC name of (E)-N-(4-nitrophenoxy)butan-2-imine (CID 11333252) is (E)-N-(4-nitrophenoxy)butan-2-imine.
What is the SMILES notation for (E)-N-(4-nitrophenoxy)butan-2-imine?
The canonical SMILES for (E)-N-(4-nitrophenoxy)butan-2-imine is CC/C(C)=N/Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-(4-nitrophenoxy)butan-2-imine?
The InChIKey is ZXNXVADFXIXDEB-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-8(2)11-15-10-6-4-9(5-7-10)12(13)14/h4-7H,3H2,1-2H3/b11-8+.
What are the key properties of (E)-N-(4-nitrophenoxy)butan-2-imine?
(E)-N-(4-nitrophenoxy)butan-2-imine has a molecular weight of 208.22 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-nitrophenoxy)butan-2-imine is sourced from PubChem (CID 11333252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).