ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate

C10H11BrN2O2 — CID 5332575

IUPACethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O2/c1-2-15-10(14)13-12-7-8-3-5-9(11)6-4-8/h3-7H,2H2,1H3,(H,13,14)/b12-7+
InChIKeyMTFQUNQOXILAKV-KPKJPENVSA-N
MW271.11 g/mol
LogP2.53
Rot. Bonds3

About ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate

ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate (PubChem CID 5332575) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate
PubChem CID5332575
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Nameethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O2/c1-2-15-10(14)13-12-7-8-3-5-9(11)6-4-8/h3-7H,2H2,1H3,(H,13,14)/b12-7+
InChIKeyMTFQUNQOXILAKV-KPKJPENVSA-N
XLogP2.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate (CID 5332575) is ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate?
The InChIKey is MTFQUNQOXILAKV-KPKJPENVSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-2-15-10(14)13-12-7-8-3-5-9(11)6-4-8/h3-7H,2H2,1H3,(H,13,14)/b12-7+.
What are the key properties of ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate?
ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate has a molecular weight of 271.11 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-(4-bromophenyl)methylideneamino]carbamate is sourced from PubChem (CID 5332575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).