propan-2-yl N-hex-1-en-3-ylcarbamate

C10H19NO2 — CID 139619222

IUPACpropan-2-yl N-hex-1-en-3-ylcarbamate
SMILESC=CC(CCC)NC(=O)OC(C)C
InChIInChI=1S/C10H19NO2/c1-5-7-9(6-2)11-10(12)13-8(3)4/h6,8-9H,2,5,7H2,1,3-4H3,(H,11,12)
InChIKeyWBTAOFFHPXTJHW-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.48
Rot. Bonds5

About propan-2-yl N-hex-1-en-3-ylcarbamate

propan-2-yl N-hex-1-en-3-ylcarbamate (PubChem CID 139619222) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is propan-2-yl N-hex-1-en-3-ylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-hex-1-en-3-ylcarbamate
PubChem CID139619222
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namepropan-2-yl N-hex-1-en-3-ylcarbamate
SMILESC=CC(CCC)NC(=O)OC(C)C
InChIInChI=1S/C10H19NO2/c1-5-7-9(6-2)11-10(12)13-8(3)4/h6,8-9H,2,5,7H2,1,3-4H3,(H,11,12)
InChIKeyWBTAOFFHPXTJHW-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.48
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 propan-2-yl N-hex-1-en-3-ylcarbamate?
The IUPAC name of propan-2-yl N-hex-1-en-3-ylcarbamate (CID 139619222) is propan-2-yl N-hex-1-en-3-ylcarbamate.
What is the SMILES notation for propan-2-yl N-hex-1-en-3-ylcarbamate?
The canonical SMILES for propan-2-yl N-hex-1-en-3-ylcarbamate is C=CC(CCC)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-hex-1-en-3-ylcarbamate?
The InChIKey is WBTAOFFHPXTJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-7-9(6-2)11-10(12)13-8(3)4/h6,8-9H,2,5,7H2,1,3-4H3,(H,11,12).
What are the key properties of propan-2-yl N-hex-1-en-3-ylcarbamate?
propan-2-yl N-hex-1-en-3-ylcarbamate has a molecular weight of 185.27 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-hex-1-en-3-ylcarbamate is sourced from PubChem (CID 139619222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).