1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate

C9H15NO5 — CID 154138868

IUPAC1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate
SMILESCOC1C=CC(OC)(C(C)OC(N)=O)O1
InChIInChI=1S/C9H15NO5/c1-6(14-8(10)11)9(13-3)5-4-7(12-2)15-9/h4-7H,1-3H3,(H2,10,11)
InChIKeyPQALHDMNXVZPHY-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.37
Rot. Bonds4

About 1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate

1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate (PubChem CID 154138868) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate.

Molecular Properties

Compound Name1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate
PubChem CID154138868
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate
SMILESCOC1C=CC(OC)(C(C)OC(N)=O)O1
InChIInChI=1S/C9H15NO5/c1-6(14-8(10)11)9(13-3)5-4-7(12-2)15-9/h4-7H,1-3H3,(H2,10,11)
InChIKeyPQALHDMNXVZPHY-UHFFFAOYSA-N
XLogP0.37
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
CID 7167551
(1R)-1-(2,5-dimethoxy-2H-furan-5-yl)ethanol
CID 2733897
1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol
CID 14462308
(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan
CID 7171182
methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate
CID 19354459
[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol
CID 86312017
2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine
CID 99988421
2-(2,5-dimethoxy-2H-furan-5-yl)ethanamine
CID 102568268
N-[2-(2,5-dimethoxy-2H-furan-5-yl)ethyl]acetamide
CID 102567645
azane;propan-2-yl carbamate
CID 172769477
3-methoxybutan-2-yl carbamate
CID 88788189
3-hydroxybutan-2-yl carbamate
CID 20700654

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate?
The IUPAC name of 1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate (CID 154138868) is 1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate.
What is the SMILES notation for 1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate?
The canonical SMILES for 1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate is COC1C=CC(OC)(C(C)OC(N)=O)O1.
What is the InChIKey of 1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate?
The InChIKey is PQALHDMNXVZPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-6(14-8(10)11)9(13-3)5-4-7(12-2)15-9/h4-7H,1-3H3,(H2,10,11).
What are the key properties of 1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate?
1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate has a molecular weight of 217.22 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate is sourced from PubChem (CID 154138868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).