[2-(3-aminoprop-2-enyl)phenyl] carbamate

C10H12N2O2 — CID 69028728

IUPAC[2-(3-aminoprop-2-enyl)phenyl] carbamate
SMILESNC=CCc1ccccc1OC(N)=O
InChIInChI=1S/C10H12N2O2/c11-7-3-5-8-4-1-2-6-9(8)14-10(12)13/h1-4,6-7H,5,11H2,(H2,12,13)
InChIKeyXFOZQXYMLQYRCV-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.16
Rot. Bonds3

About [2-(3-aminoprop-2-enyl)phenyl] carbamate

[2-(3-aminoprop-2-enyl)phenyl] carbamate (PubChem CID 69028728) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is [2-(3-aminoprop-2-enyl)phenyl] carbamate.

Molecular Properties

Compound Name[2-(3-aminoprop-2-enyl)phenyl] carbamate
PubChem CID69028728
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name[2-(3-aminoprop-2-enyl)phenyl] carbamate
SMILESNC=CCc1ccccc1OC(N)=O
InChIInChI=1S/C10H12N2O2/c11-7-3-5-8-4-1-2-6-9(8)14-10(12)13/h1-4,6-7H,5,11H2,(H2,12,13)
InChIKeyXFOZQXYMLQYRCV-UHFFFAOYSA-N
XLogP1.16
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2-benzyl-4-fluorophenyl) carbamate
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(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
(2-prop-2-enylphenyl) 2-oxoacetate
CID 87234163
[3-(2-bromoethyl)-2-fluorophenyl] carbamate
CID 174593765
ethyl N-[(2-carbamoyloxyphenyl)methyl]-N-phenylcarbamate
CID 70442873
[2-(dimethylamino)phenyl] carbamate
CID 163610116
[2-benzyl-3-(2-oxobut-3-enyl)phenyl] carbamate
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Frequently Asked Questions

What is the IUPAC name of [2-(3-aminoprop-2-enyl)phenyl] carbamate?
The IUPAC name of [2-(3-aminoprop-2-enyl)phenyl] carbamate (CID 69028728) is [2-(3-aminoprop-2-enyl)phenyl] carbamate.
What is the SMILES notation for [2-(3-aminoprop-2-enyl)phenyl] carbamate?
The canonical SMILES for [2-(3-aminoprop-2-enyl)phenyl] carbamate is NC=CCc1ccccc1OC(N)=O.
What is the InChIKey of [2-(3-aminoprop-2-enyl)phenyl] carbamate?
The InChIKey is XFOZQXYMLQYRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-7-3-5-8-4-1-2-6-9(8)14-10(12)13/h1-4,6-7H,5,11H2,(H2,12,13).
What are the key properties of [2-(3-aminoprop-2-enyl)phenyl] carbamate?
[2-(3-aminoprop-2-enyl)phenyl] carbamate has a molecular weight of 192.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminoprop-2-enyl)phenyl] carbamate is sourced from PubChem (CID 69028728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).