1-phenylethyl N-prop-2-enylcarbamate

C12H15NO2 — CID 67912904

IUPAC1-phenylethyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OC(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-9-13-12(14)15-10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,13,14)
InChIKeyJXRLBACMRVWMKX-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.66
Rot. Bonds4

About 1-phenylethyl N-prop-2-enylcarbamate

1-phenylethyl N-prop-2-enylcarbamate (PubChem CID 67912904) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-phenylethyl N-prop-2-enylcarbamate.

Molecular Properties

Compound Name1-phenylethyl N-prop-2-enylcarbamate
PubChem CID67912904
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-phenylethyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OC(C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-9-13-12(14)15-10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,13,14)
InChIKeyJXRLBACMRVWMKX-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-phenylethyl] N-[(E)-4-aminobut-2-enyl]carbamate
CID 156899526
1-phenylethyl prop-2-enoate
CID 175321764
[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate
CID 139568949
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
1-phenylethyl N-carbamoylcarbamate
CID 3027881
ethenyl 1-phenylethyl carbonate
CID 11008749
4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
CID 112509842
2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
CID 90979359
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[1,4-dioxo-3-(phenylcarbamoyloxy)-1,4-bis(prop-2-enylamino)butan-2-yl] N-phenylcarbamate
CID 18330839
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl N-prop-2-enylcarbamate?
The IUPAC name of 1-phenylethyl N-prop-2-enylcarbamate (CID 67912904) is 1-phenylethyl N-prop-2-enylcarbamate.
What is the SMILES notation for 1-phenylethyl N-prop-2-enylcarbamate?
The canonical SMILES for 1-phenylethyl N-prop-2-enylcarbamate is C=CCNC(=O)OC(C)c1ccccc1.
What is the InChIKey of 1-phenylethyl N-prop-2-enylcarbamate?
The InChIKey is JXRLBACMRVWMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-9-13-12(14)15-10(2)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,13,14).
What are the key properties of 1-phenylethyl N-prop-2-enylcarbamate?
1-phenylethyl N-prop-2-enylcarbamate has a molecular weight of 205.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl N-prop-2-enylcarbamate is sourced from PubChem (CID 67912904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).