ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate

C10H19NO4 — CID 142796678

IUPACethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate
SMILESC=CC(CC(OC)OC)NC(=O)OCC
InChIInChI=1S/C10H19NO4/c1-5-8(7-9(13-3)14-4)11-10(12)15-6-2/h5,8-9H,1,6-7H2,2-4H3,(H,11,12)
InChIKeyOPALLKSYYIGEFR-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.30
Rot. Bonds7

About ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate

ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate (PubChem CID 142796678) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate
PubChem CID142796678
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate
SMILESC=CC(CC(OC)OC)NC(=O)OCC
InChIInChI=1S/C10H19NO4/c1-5-8(7-9(13-3)14-4)11-10(12)15-6-2/h5,8-9H,1,6-7H2,2-4H3,(H,11,12)
InChIKeyOPALLKSYYIGEFR-UHFFFAOYSA-N
XLogP1.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

propyl N-hex-1-en-3-ylcarbamate
CID 124011239
tert-butyl N-[(3R)-5-methoxypent-1-en-3-yl]carbamate
CID 137495271
butyl N-(5-hydroxypent-1-en-3-yl)carbamate
CID 172715433

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate?
The IUPAC name of ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate (CID 142796678) is ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate.
What is the SMILES notation for ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate?
The canonical SMILES for ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate is C=CC(CC(OC)OC)NC(=O)OCC.
What is the InChIKey of ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate?
The InChIKey is OPALLKSYYIGEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-8(7-9(13-3)14-4)11-10(12)15-6-2/h5,8-9H,1,6-7H2,2-4H3,(H,11,12).
What are the key properties of ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate?
ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate has a molecular weight of 217.26 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate is sourced from PubChem (CID 142796678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).