benzyl N-(2-aminoprop-2-enyl)carbamate

C11H14N2O2 — CID 146420722

IUPACbenzyl N-(2-aminoprop-2-enyl)carbamate
SMILESC=C(N)CNC(=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O2/c1-9(12)7-13-11(14)15-8-10-5-3-2-4-6-10/h2-6H,1,7-8,12H2,(H,13,14)
InChIKeyFLCNQOJUZZUTSH-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.39
Rot. Bonds4

About benzyl N-(2-aminoprop-2-enyl)carbamate

benzyl N-(2-aminoprop-2-enyl)carbamate (PubChem CID 146420722) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is benzyl N-(2-aminoprop-2-enyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-aminoprop-2-enyl)carbamate
PubChem CID146420722
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Namebenzyl N-(2-aminoprop-2-enyl)carbamate
SMILESC=C(N)CNC(=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O2/c1-9(12)7-13-11(14)15-8-10-5-3-2-4-6-10/h2-6H,1,7-8,12H2,(H,13,14)
InChIKeyFLCNQOJUZZUTSH-UHFFFAOYSA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-(2,3-dioxopropyl)carbamate
CID 105477006
benzyl N-(4-methyl-2-oxopent-4-enyl)carbamate
CID 165467188
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-nitroso-2-oxoethyl)carbamate
CID 118370202
benzyl N-(2-oxo-3-sulfanylpropyl)carbamate
CID 24832042
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
2-[carboxymethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 70865153
2-hydroxy-3-oxo-4-(phenylmethoxycarbonylamino)butanoic acid
CID 139920935

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-aminoprop-2-enyl)carbamate?
The IUPAC name of benzyl N-(2-aminoprop-2-enyl)carbamate (CID 146420722) is benzyl N-(2-aminoprop-2-enyl)carbamate.
What is the SMILES notation for benzyl N-(2-aminoprop-2-enyl)carbamate?
The canonical SMILES for benzyl N-(2-aminoprop-2-enyl)carbamate is C=C(N)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-aminoprop-2-enyl)carbamate?
The InChIKey is FLCNQOJUZZUTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9(12)7-13-11(14)15-8-10-5-3-2-4-6-10/h2-6H,1,7-8,12H2,(H,13,14).
What are the key properties of benzyl N-(2-aminoprop-2-enyl)carbamate?
benzyl N-(2-aminoprop-2-enyl)carbamate has a molecular weight of 206.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-aminoprop-2-enyl)carbamate is sourced from PubChem (CID 146420722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).