ethyl carbamate;stilbene

C17H19NO2 — CID 175156091

IUPACethyl carbamate;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.CCOC(N)=O
InChIInChI=1S/C14H12.C3H7NO2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-6-3(4)5/h1-12H;2H2,1H3,(H2,4,5)
InChIKeyQXHBDULMOSEQQG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.96
Rot. Bonds3

About ethyl carbamate;stilbene

ethyl carbamate;stilbene (PubChem CID 175156091) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl carbamate;stilbene.

Molecular Properties

Compound Nameethyl carbamate;stilbene
PubChem CID175156091
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl carbamate;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.CCOC(N)=O
InChIInChI=1S/C14H12.C3H7NO2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-6-3(4)5/h1-12H;2H2,1H3,(H2,4,5)
InChIKeyQXHBDULMOSEQQG-UHFFFAOYSA-N
XLogP3.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl carbamate;(E)-3-phenylprop-2-enoic acid
CID 70467325
ethyl acetate;stilbene
CID 159556390
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
anthracene;ethyl carbamate
CID 174381530
ethyl carbamate;2-phenylacetic acid
CID 153376104
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl acetate;(Z)-3-phenylprop-2-enoic acid
CID 174849368
ethyl carbamate;phthalic acid;prop-2-enoic acid
CID 172775257
ethyl 2-methylidene-4-phenylbut-3-enoate
CID 54282000
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;stilbene?
The IUPAC name of ethyl carbamate;stilbene (CID 175156091) is ethyl carbamate;stilbene.
What is the SMILES notation for ethyl carbamate;stilbene?
The canonical SMILES for ethyl carbamate;stilbene is C(=Cc1ccccc1)c1ccccc1.CCOC(N)=O.
What is the InChIKey of ethyl carbamate;stilbene?
The InChIKey is QXHBDULMOSEQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C3H7NO2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-6-3(4)5/h1-12H;2H2,1H3,(H2,4,5).
What are the key properties of ethyl carbamate;stilbene?
ethyl carbamate;stilbene has a molecular weight of 269.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;stilbene is sourced from PubChem (CID 175156091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).