pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

C19H23NO4 — CID 5307230

IUPACpentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2
InChIInChI=1S/C19H23NO4/c1-3-4-5-8-24-19(22)18-12(2)17-14(20-18)10-13(11-15(17)21)16-7-6-9-23-16/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
InChIKeyNDCBMQWFBWYBLK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.18
Rot. Bonds6

About pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (PubChem CID 5307230) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.

Molecular Properties

Compound Namepentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
PubChem CID5307230
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namepentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
SMILESCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2
InChIInChI=1S/C19H23NO4/c1-3-4-5-8-24-19(22)18-12(2)17-14(20-18)10-13(11-15(17)21)16-7-6-9-23-16/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
InChIKeyNDCBMQWFBWYBLK-UHFFFAOYSA-N
XLogP4.18
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 2992266
2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2429118
methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 2964931
2-ethoxyethyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 17285441
methyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 3260577
2-methoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 4274895
propan-2-yl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 4429890
ethyl 6-(4-fluorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 5134532
2-propoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 5214133
ethyl 4-{[(2-furylmethyl)amino]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16195769
cyclopentyl 6-(furan-2-yl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 2986656
ethyl 6-(2-furyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 2997481

Frequently Asked Questions

What is the IUPAC name of pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The IUPAC name of pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (CID 5307230) is pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate.
What is the SMILES notation for pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The canonical SMILES for pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2.
What is the InChIKey of pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
The InChIKey is NDCBMQWFBWYBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-4-5-8-24-19(22)18-12(2)17-14(20-18)10-13(11-15(17)21)16-7-6-9-23-16/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3.
What are the key properties of pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate?
pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate is sourced from PubChem (CID 5307230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).