prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate

C11H20N2O3 — CID 161020444

IUPACprop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate
SMILESC=CCOC(=O)NCCC(CC)C(=O)NC
InChIInChI=1S/C11H20N2O3/c1-4-8-16-11(15)13-7-6-9(5-2)10(14)12-3/h4,9H,1,5-8H2,2-3H3,(H,12,14)(H,13,15)
InChIKeyXMWPYZXLUBJAKA-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.06
Rot. Bonds7

About prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate

prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate (PubChem CID 161020444) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate
PubChem CID161020444
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameprop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate
SMILESC=CCOC(=O)NCCC(CC)C(=O)NC
InChIInChI=1S/C11H20N2O3/c1-4-8-16-11(15)13-7-6-9(5-2)10(14)12-3/h4,9H,1,5-8H2,2-3H3,(H,12,14)(H,13,15)
InChIKeyXMWPYZXLUBJAKA-UHFFFAOYSA-N
XLogP1.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(methylcarbamoyl)pentyl]carbamate?
The IUPAC name of prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate (CID 161020444) is prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate?
The canonical SMILES for prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate is C=CCOC(=O)NCCC(CC)C(=O)NC.
What is the InChIKey of prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate?
The InChIKey is XMWPYZXLUBJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-8-16-11(15)13-7-6-9(5-2)10(14)12-3/h4,9H,1,5-8H2,2-3H3,(H,12,14)(H,13,15).
What are the key properties of prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate?
prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[3-(methylcarbamoyl)pentyl]carbamate is sourced from PubChem (CID 161020444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).