propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate

C10H17NO3 — CID 19738535

IUPACpropyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCCC)C(C)C=O
InChIInChI=1S/C10H17NO3/c1-4-6-11(9(3)8-12)10(13)14-7-5-2/h4,8-9H,1,5-7H2,2-3H3
InChIKeyNNLSTYMNGAEWKW-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.61
Rot. Bonds6

About propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate

propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate (PubChem CID 19738535) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namepropyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate
PubChem CID19738535
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namepropyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCCC)C(C)C=O
InChIInChI=1S/C10H17NO3/c1-4-6-11(9(3)8-12)10(13)14-7-5-2/h4,8-9H,1,5-7H2,2-3H3
InChIKeyNNLSTYMNGAEWKW-UHFFFAOYSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate?
The IUPAC name of propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate (CID 19738535) is propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate.
What is the SMILES notation for propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate?
The canonical SMILES for propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate is C=CCN(C(=O)OCCC)C(C)C=O.
What is the InChIKey of propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate?
The InChIKey is NNLSTYMNGAEWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-6-11(9(3)8-12)10(13)14-7-5-2/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate?
propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate has a molecular weight of 199.25 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(1-oxopropan-2-yl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 19738535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).