anthracene;ethyl carbamate

C17H17NO2 — CID 174381530

IUPACanthracene;ethyl carbamate
SMILESCCOC(N)=O.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C3H7NO2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-3(4)5/h1-10H;2H2,1H3,(H2,4,5)
InChIKeyIQDLNXYFYIEGMD-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.09
Rot. Bonds1

About anthracene;ethyl carbamate

anthracene;ethyl carbamate (PubChem CID 174381530) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is anthracene;ethyl carbamate.

Molecular Properties

Compound Nameanthracene;ethyl carbamate
PubChem CID174381530
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nameanthracene;ethyl carbamate
SMILESCCOC(N)=O.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C3H7NO2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-3(4)5/h1-10H;2H2,1H3,(H2,4,5)
InChIKeyIQDLNXYFYIEGMD-UHFFFAOYSA-N
XLogP4.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of anthracene;ethyl carbamate?
The IUPAC name of anthracene;ethyl carbamate (CID 174381530) is anthracene;ethyl carbamate.
What is the SMILES notation for anthracene;ethyl carbamate?
The canonical SMILES for anthracene;ethyl carbamate is CCOC(N)=O.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;ethyl carbamate?
The InChIKey is IQDLNXYFYIEGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C3H7NO2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-3(4)5/h1-10H;2H2,1H3,(H2,4,5).
What are the key properties of anthracene;ethyl carbamate?
anthracene;ethyl carbamate has a molecular weight of 267.33 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;ethyl carbamate is sourced from PubChem (CID 174381530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).