benzyl N-(2-methylprop-2-enoyl)carbamate

C12H13NO3 — CID 11321946

IUPACbenzyl N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H13NO3/c1-9(2)11(14)13-12(15)16-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,13,14,15)
InChIKeyUOLITSXDHXSFSR-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.02
Rot. Bonds3

About benzyl N-(2-methylprop-2-enoyl)carbamate

benzyl N-(2-methylprop-2-enoyl)carbamate (PubChem CID 11321946) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is benzyl N-(2-methylprop-2-enoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-methylprop-2-enoyl)carbamate
PubChem CID11321946
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namebenzyl N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H13NO3/c1-9(2)11(14)13-12(15)16-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,13,14,15)
InChIKeyUOLITSXDHXSFSR-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-(methylamino)-3-oxoprop-1-en-2-yl]carbamate
CID 131853224
benzyl N-(2-phenylprop-2-enoyl)carbamate
CID 139252880
2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate
CID 102231478
benzyl N-[(E)-4-oxopent-2-en-3-yl]carbamate
CID 58214768
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl N-carbamothioylcarbamate
CID 23366039
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl N-[(Z)-1-amino-1-oxobut-2-en-2-yl]carbamate
CID 15663847
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-[(E)-3-oxo-1-phenylbut-1-en-2-yl]carbamate
CID 24978272
benzyl N-(4-methyl-2-oxopent-4-enyl)carbamate
CID 165467188

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methylprop-2-enoyl)carbamate?
The IUPAC name of benzyl N-(2-methylprop-2-enoyl)carbamate (CID 11321946) is benzyl N-(2-methylprop-2-enoyl)carbamate.
What is the SMILES notation for benzyl N-(2-methylprop-2-enoyl)carbamate?
The canonical SMILES for benzyl N-(2-methylprop-2-enoyl)carbamate is C=C(C)C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-methylprop-2-enoyl)carbamate?
The InChIKey is UOLITSXDHXSFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-9(2)11(14)13-12(15)16-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,13,14,15).
What are the key properties of benzyl N-(2-methylprop-2-enoyl)carbamate?
benzyl N-(2-methylprop-2-enoyl)carbamate has a molecular weight of 219.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methylprop-2-enoyl)carbamate is sourced from PubChem (CID 11321946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).