3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate

C15H17NO5 — CID 71577026

IUPAC3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate
SMILESCN(C)CCCOC(=O)c1cc2cc3c(cc2o1)OCO3
InChIInChI=1S/C15H17NO5/c1-16(2)4-3-5-18-15(17)14-7-10-6-12-13(20-9-19-12)8-11(10)21-14/h6-8H,3-5,9H2,1-2H3
InChIKeyGYISDJSTELSWJP-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.27
Rot. Bonds5

About 3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate

3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate (PubChem CID 71577026) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate.

Molecular Properties

Compound Name3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate
PubChem CID71577026
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate
SMILESCN(C)CCCOC(=O)c1cc2cc3c(cc2o1)OCO3
InChIInChI=1S/C15H17NO5/c1-16(2)4-3-5-18-15(17)14-7-10-6-12-13(20-9-19-12)8-11(10)21-14/h6-8H,3-5,9H2,1-2H3
InChIKeyGYISDJSTELSWJP-UHFFFAOYSA-N
XLogP2.27
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methylfuro[2,3-f][1,3]benzodioxole-6-carboxamide
CID 139623375
(2,5-dimethylphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
CID 60587952
furo[2,3-f][1,3]benzodioxol-6-yl-(4-methylphenyl)methanone
CID 60587967
(4-ethoxyphenyl)-furo[2,3-f][1,3]benzodioxol-6-ylmethanone
CID 60587932
bis[3-(dimethylamino)propyl] benzene-1,3-dicarboxylate
CID 139953071
3-(dimethylamino)propyl 3,5-dihydroxybenzoate
CID 178080897
furo[2,3-f][1,3]benzodioxol-6-yl(1H-pyrrol-2-yl)methanone
CID 47411580
1-[5-acetyl-6-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one
CID 58192957
(4-methoxy-4-oxobutyl) 5-amino-1-benzofuran-2-carboxylate
CID 61323455
3-(dimethylamino)propyl 3,5-diformylbenzoate
CID 170790573
[3-(methylamino)-3-oxopropyl] 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 86804105
3-hydroxypropyl 1,3-benzodioxole-5-carboxylate
CID 116863000

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate?
The IUPAC name of 3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate (CID 71577026) is 3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate.
What is the SMILES notation for 3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate?
The canonical SMILES for 3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate is CN(C)CCCOC(=O)c1cc2cc3c(cc2o1)OCO3.
What is the InChIKey of 3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate?
The InChIKey is GYISDJSTELSWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-16(2)4-3-5-18-15(17)14-7-10-6-12-13(20-9-19-12)8-11(10)21-14/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate?
3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl furo[2,3-f][1,3]benzodioxole-6-carboxylate is sourced from PubChem (CID 71577026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).