benzyl(ethenyl)carbamic acid

C10H11NO2 — CID 22377754

IUPACbenzyl(ethenyl)carbamic acid
SMILESC=CN(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO2/c1-2-11(10(12)13)8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,13)
InChIKeyWROIWMWUVXHFPO-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.31
Rot. Bonds3

About benzyl(ethenyl)carbamic acid

benzyl(ethenyl)carbamic acid (PubChem CID 22377754) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is benzyl(ethenyl)carbamic acid.

Molecular Properties

Compound Namebenzyl(ethenyl)carbamic acid
PubChem CID22377754
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namebenzyl(ethenyl)carbamic acid
SMILESC=CN(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H11NO2/c1-2-11(10(12)13)8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,13)
InChIKeyWROIWMWUVXHFPO-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-ethenylpropanamide
CID 11469541
N-[(dibenzylamino)methyl]prop-2-enamide
CID 68581396
N,N-dibenzylbut-3-enamide
CID 134848345
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
N-benzyl-N-[(1E)-buta-1,3-dienyl]-2-iodobenzamide
CID 14663797
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
N-benzyl-N-methoxyprop-2-enamide
CID 86239438
2-[benzyl(methyl)amino]but-3-enoic acid
CID 130492243
4-[benzyl(methyl)amino]-4-prop-2-enoylhepta-1,6-diene-3,5-dione
CID 175740465
benzyl(bromo)carbamic acid
CID 87217964
amino(benzyl)carbamic acid
CID 18704089

Frequently Asked Questions

What is the IUPAC name of benzyl(ethenyl)carbamic acid?
The IUPAC name of benzyl(ethenyl)carbamic acid (CID 22377754) is benzyl(ethenyl)carbamic acid.
What is the SMILES notation for benzyl(ethenyl)carbamic acid?
The canonical SMILES for benzyl(ethenyl)carbamic acid is C=CN(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzyl(ethenyl)carbamic acid?
The InChIKey is WROIWMWUVXHFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-11(10(12)13)8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,13).
What are the key properties of benzyl(ethenyl)carbamic acid?
benzyl(ethenyl)carbamic acid has a molecular weight of 177.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(ethenyl)carbamic acid is sourced from PubChem (CID 22377754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).