phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate

C13H15NO3 — CID 122213101

IUPACphenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate
SMILESC=C(C)C(=C)CN(O)C(=O)Oc1ccccc1
InChIInChI=1S/C13H15NO3/c1-10(2)11(3)9-14(16)13(15)17-12-7-5-4-6-8-12/h4-8,16H,1,3,9H2,2H3
InChIKeyLWOSWRIRXGZWPY-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.01
Rot. Bonds4

About phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate

phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate (PubChem CID 122213101) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate.

Molecular Properties

Compound Namephenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate
PubChem CID122213101
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namephenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate
SMILESC=C(C)C(=C)CN(O)C(=O)Oc1ccccc1
InChIInChI=1S/C13H15NO3/c1-10(2)11(3)9-14(16)13(15)17-12-7-5-4-6-8-12/h4-8,16H,1,3,9H2,2H3
InChIKeyLWOSWRIRXGZWPY-UHFFFAOYSA-N
XLogP3.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate?
The IUPAC name of phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate (CID 122213101) is phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate.
What is the SMILES notation for phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate?
The canonical SMILES for phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate is C=C(C)C(=C)CN(O)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate?
The InChIKey is LWOSWRIRXGZWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10(2)11(3)9-14(16)13(15)17-12-7-5-4-6-8-12/h4-8,16H,1,3,9H2,2H3.
What are the key properties of phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate?
phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate has a molecular weight of 233.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-hydroxy-N-(3-methyl-2-methylidenebut-3-enyl)carbamate is sourced from PubChem (CID 122213101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).