1-(2-phenylethenoxy)ethyl carbamate

C11H13NO3 — CID 67827178

IUPAC1-(2-phenylethenoxy)ethyl carbamate
SMILESCC(OC=Cc1ccccc1)OC(N)=O
InChIInChI=1S/C11H13NO3/c1-9(15-11(12)13)14-8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H2,12,13)
InChIKeyYKDMWBRRDJEBEY-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.12
Rot. Bonds4

About 1-(2-phenylethenoxy)ethyl carbamate

1-(2-phenylethenoxy)ethyl carbamate (PubChem CID 67827178) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(2-phenylethenoxy)ethyl carbamate.

Molecular Properties

Compound Name1-(2-phenylethenoxy)ethyl carbamate
PubChem CID67827178
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(2-phenylethenoxy)ethyl carbamate
SMILESCC(OC=Cc1ccccc1)OC(N)=O
InChIInChI=1S/C11H13NO3/c1-9(15-11(12)13)14-8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H2,12,13)
InChIKeyYKDMWBRRDJEBEY-UHFFFAOYSA-N
XLogP2.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-phenylpent-4-en-2-yl carbamate
CID 175428401
N-methyl-N-[1-(2-phenylethenoxy)ethyl]acetamide
CID 70231014
2-phenylethenyl (2S)-2-methylbutanoate
CID 175008334
[(Z)-hex-3-enyl] 2-(2-phenylethenoxy)propanoate
CID 167437987
ethyl carbamate;stilbene
CID 175156091
1,5-diphenylpent-4-en-2-yl carbamate
CID 175314051
octan-3-yl 2-(2-phenylethenoxy)propanoate
CID 167438036
[(E)-1-nitro-3-phenylprop-2-enyl] carbamate
CID 67217892
2-phenylethenyl 3-amino-2-methylbut-2-enoate
CID 175322238
acetic acid;stilbene
CID 172803728
(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372
3-methylbutan-2-yl (E)-3-phenylprop-2-enoate
CID 166681148

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenoxy)ethyl carbamate?
The IUPAC name of 1-(2-phenylethenoxy)ethyl carbamate (CID 67827178) is 1-(2-phenylethenoxy)ethyl carbamate.
What is the SMILES notation for 1-(2-phenylethenoxy)ethyl carbamate?
The canonical SMILES for 1-(2-phenylethenoxy)ethyl carbamate is CC(OC=Cc1ccccc1)OC(N)=O.
What is the InChIKey of 1-(2-phenylethenoxy)ethyl carbamate?
The InChIKey is YKDMWBRRDJEBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-9(15-11(12)13)14-8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H2,12,13).
What are the key properties of 1-(2-phenylethenoxy)ethyl carbamate?
1-(2-phenylethenoxy)ethyl carbamate has a molecular weight of 207.23 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenoxy)ethyl carbamate is sourced from PubChem (CID 67827178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).