ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate

C15H16N2O3 — CID 135643515

IUPACethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(\C)c1ccc2ccccc2c1O
InChIInChI=1S/C15H16N2O3/c1-3-20-15(19)17-16-10(2)12-9-8-11-6-4-5-7-13(11)14(12)18/h4-9,18H,3H2,1-2H3,(H,17,19)/b16-10+
InChIKeyIEQPSOIMROXAAG-MHWRWJLKSA-N
MW272.30 g/mol
LogP3.02
Rot. Bonds3

About ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate

ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate (PubChem CID 135643515) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate
PubChem CID135643515
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(\C)c1ccc2ccccc2c1O
InChIInChI=1S/C15H16N2O3/c1-3-20-15(19)17-16-10(2)12-9-8-11-6-4-5-7-13(11)14(12)18/h4-9,18H,3H2,1-2H3,(H,17,19)/b16-10+
InChIKeyIEQPSOIMROXAAG-MHWRWJLKSA-N
XLogP3.02
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate (CID 135643515) is ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate is CCOC(=O)N/N=C(\C)c1ccc2ccccc2c1O.
What is the InChIKey of ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate?
The InChIKey is IEQPSOIMROXAAG-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-20-15(19)17-16-10(2)12-9-8-11-6-4-5-7-13(11)14(12)18/h4-9,18H,3H2,1-2H3,(H,17,19)/b16-10+.
What are the key properties of ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate?
ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate has a molecular weight of 272.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]carbamate is sourced from PubChem (CID 135643515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).