methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate

C17H17NO4 — CID 102336072

IUPACmethyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate
SMILESC=CCCCOc1oc(C(=O)OC)c2[nH]c3ccccc3c12
InChIInChI=1S/C17H17NO4/c1-3-4-7-10-21-17-13-11-8-5-6-9-12(11)18-14(13)15(22-17)16(19)20-2/h3,5-6,8-9,18H,1,4,7,10H2,2H3
InChIKeyZGGADHINQUBTIH-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.05
Rot. Bonds6

About methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate

methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate (PubChem CID 102336072) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate
PubChem CID102336072
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate
SMILESC=CCCCOc1oc(C(=O)OC)c2[nH]c3ccccc3c12
InChIInChI=1S/C17H17NO4/c1-3-4-7-10-21-17-13-11-8-5-6-9-12(11)18-14(13)15(22-17)16(19)20-2/h3,5-6,8-9,18H,1,4,7,10H2,2H3
InChIKeyZGGADHINQUBTIH-UHFFFAOYSA-N
XLogP4.05
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351962
methyl 3-methyl-4-oxo-5H-furo[3,4-c]quinoline-1-carboxylate
CID 10729818
methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
CID 10593388
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate
CID 162411869
methyl 3-methyl-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351963
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877
methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate
CID 132510693
(Z)-2-hydroxy-2-methoxy-1-(2-pent-4-enoxycarbonyl-1-benzofuran-3-yl)ethenediazonium
CID 10711351
3-(9H-carbazol-1-yl)propyl prop-2-enoate
CID 18766698
1-O-octyl 2-O-pent-4-enyl benzene-1,2-dicarboxylate
CID 91719826

Frequently Asked Questions

What is the IUPAC name of methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate (CID 102336072) is methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate is C=CCCCOc1oc(C(=O)OC)c2[nH]c3ccccc3c12.
What is the InChIKey of methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate?
The InChIKey is ZGGADHINQUBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-4-7-10-21-17-13-11-8-5-6-9-12(11)18-14(13)15(22-17)16(19)20-2/h3,5-6,8-9,18H,1,4,7,10H2,2H3.
What are the key properties of methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate?
methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pent-4-enoxy-4H-furo[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 102336072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).