but-3-en-2-yl N-benzylcarbamate

C12H15NO2 — CID 130012657

IUPACbut-3-en-2-yl N-benzylcarbamate
SMILESC=CC(C)OC(=O)NCc1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-10(2)15-12(14)13-9-11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,13,14)
InChIKeyOAMCMMZXSKCCFU-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.49
Rot. Bonds4

About but-3-en-2-yl N-benzylcarbamate

but-3-en-2-yl N-benzylcarbamate (PubChem CID 130012657) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is but-3-en-2-yl N-benzylcarbamate.

Molecular Properties

Compound Namebut-3-en-2-yl N-benzylcarbamate
PubChem CID130012657
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namebut-3-en-2-yl N-benzylcarbamate
SMILESC=CC(C)OC(=O)NCc1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-10(2)15-12(14)13-9-11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,13,14)
InChIKeyOAMCMMZXSKCCFU-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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

tert-butyl 4-(benzylcarbamoyloxy)pent-2-enoate
CID 75145950
(4-bromo-3-oxobutan-2-yl) N-benzylcarbamate
CID 123160195
[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate
CID 162689535
[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
CID 175581650
[1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate
CID 123699873
benzene;ethyl N-benzylcarbamate
CID 67715166
3-hydroxybutyl N-benzylcarbamate
CID 142744474
[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
CID 144705783
[(2S)-1-amino-1-oxopentan-2-yl] N-benzylcarbamate
CID 175581620
1-phenylmethoxybutan-2-yl N-benzylcarbamate
CID 101250617
(4-amino-1-propan-2-yloxybutan-2-yl) N-benzylcarbamate
CID 67070108
(2R,3R)-2-(benzylamino)-3-methylpent-4-enoic acid
CID 124634030

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl N-benzylcarbamate?
The IUPAC name of but-3-en-2-yl N-benzylcarbamate (CID 130012657) is but-3-en-2-yl N-benzylcarbamate.
What is the SMILES notation for but-3-en-2-yl N-benzylcarbamate?
The canonical SMILES for but-3-en-2-yl N-benzylcarbamate is C=CC(C)OC(=O)NCc1ccccc1.
What is the InChIKey of but-3-en-2-yl N-benzylcarbamate?
The InChIKey is OAMCMMZXSKCCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-10(2)15-12(14)13-9-11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,13,14).
What are the key properties of but-3-en-2-yl N-benzylcarbamate?
but-3-en-2-yl N-benzylcarbamate has a molecular weight of 205.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl N-benzylcarbamate is sourced from PubChem (CID 130012657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).