1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane

C23H23NO5 — CID 143977057

IUPAC1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane
SMILESC1CCOC1.CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2c(C=O)cccc21
InChIInChI=1S/C19H15NO4.C4H8O/c1-20-14-4-2-3-12(9-21)17(14)19(18(20)22)10-24-16-8-15-11(5-6-23-15)7-13(16)19;1-2-4-5-3-1/h2-4,7-9H,5-6,10H2,1H3;1-4H2
InChIKeyHMKRDTTUKUDPBA-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.89
Rot. Bonds1

About 1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane

1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane (PubChem CID 143977057) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane.

Molecular Properties

Compound Name1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane
PubChem CID143977057
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane
SMILESC1CCOC1.CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2c(C=O)cccc21
InChIInChI=1S/C19H15NO4.C4H8O/c1-20-14-4-2-3-12(9-21)17(14)19(18(20)22)10-24-16-8-15-11(5-6-23-15)7-13(16)19;1-2-4-5-3-1/h2-4,7-9H,5-6,10H2,1H3;1-4H2
InChIKeyHMKRDTTUKUDPBA-UHFFFAOYSA-N
XLogP2.89
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 143977151
1,4-dioxane;(8R)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 143977132
1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carbaldehyde;N-methyl-1-pyridin-2-ylmethanamine
CID 143977173
4'-acetyl-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
CID 68597801
1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352498
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263434
spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
CID 59263354
1'-[3-(2,2,2-trifluoroethylamino)propyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one;hydrochloride
CID 68599669
N-(1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-yl)cyclopentanecarboxamide
CID 59352702
2-[3-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)propyl]isoindole-1,3-dione
CID 59352544
CID 71036114
CID 71036114

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane?
The IUPAC name of 1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane (CID 143977057) is 1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane.
What is the SMILES notation for 1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane?
The canonical SMILES for 1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane is C1CCOC1.CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2c(C=O)cccc21.
What is the InChIKey of 1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane?
The InChIKey is HMKRDTTUKUDPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4.C4H8O/c1-20-14-4-2-3-12(9-21)17(14)19(18(20)22)10-24-16-8-15-11(5-6-23-15)7-13(16)19;1-2-4-5-3-1/h2-4,7-9H,5-6,10H2,1H3;1-4H2.
What are the key properties of 1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane?
1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane has a molecular weight of 393.44 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane is sourced from PubChem (CID 143977057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).