prop-2-enyl N-(2-methylpropyl)carbamate

C8H15NO2 — CID 88557507

IUPACprop-2-enyl N-(2-methylpropyl)carbamate
SMILESC=CCOC(=O)NCC(C)C
InChIInChI=1S/C8H15NO2/c1-4-5-11-8(10)9-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyKNSLEEOBWHUYQB-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.55
Rot. Bonds4

About prop-2-enyl N-(2-methylpropyl)carbamate

prop-2-enyl N-(2-methylpropyl)carbamate (PubChem CID 88557507) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is prop-2-enyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-methylpropyl)carbamate
PubChem CID88557507
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameprop-2-enyl N-(2-methylpropyl)carbamate
SMILESC=CCOC(=O)NCC(C)C
InChIInChI=1S/C8H15NO2/c1-4-5-11-8(10)9-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyKNSLEEOBWHUYQB-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2-methylpropyl)carbamate?
The IUPAC name of prop-2-enyl N-(2-methylpropyl)carbamate (CID 88557507) is prop-2-enyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2-methylpropyl)carbamate?
The canonical SMILES for prop-2-enyl N-(2-methylpropyl)carbamate is C=CCOC(=O)NCC(C)C.
What is the InChIKey of prop-2-enyl N-(2-methylpropyl)carbamate?
The InChIKey is KNSLEEOBWHUYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-11-8(10)9-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of prop-2-enyl N-(2-methylpropyl)carbamate?
prop-2-enyl N-(2-methylpropyl)carbamate has a molecular weight of 157.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 88557507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).