9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate

C24H25NO4 — CID 67048781

IUPAC9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
SMILESCC(C)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2C(=O)COC12
InChIInChI=1S/C24H25NO4/c1-14(2)19-11-25(22-21(26)13-28-23(19)22)24(27)29-12-20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-10,14,19-20,22-23H,11-13H2,1-2H3
InChIKeyWQBOROGLYFOCAE-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.86
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate

9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate (PubChem CID 67048781) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
PubChem CID67048781
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
SMILESCC(C)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2C(=O)COC12
InChIInChI=1S/C24H25NO4/c1-14(2)19-11-25(22-21(26)13-28-23(19)22)24(27)29-12-20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-10,14,19-20,22-23H,11-13H2,1-2H3
InChIKeyWQBOROGLYFOCAE-UHFFFAOYSA-N
XLogP3.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate
CID 141105402
methyl (3aS,6aR)-6-(9H-fluoren-9-yl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 91414850
9H-fluoren-9-ylmethyl 3-hydroxy-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 67049085
6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 165476462
9H-fluoren-9-ylmethyl (2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 10830778
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877
2-[(2R,5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-5-methylmorpholin-2-yl]acetic acid
CID 170914115
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
CID 146517519
9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 91026367

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate (CID 67048781) is 9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate is CC(C)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C2C(=O)COC12.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate?
The InChIKey is WQBOROGLYFOCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-14(2)19-11-25(22-21(26)13-28-23(19)22)24(27)29-12-20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-10,14,19-20,22-23H,11-13H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate?
9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate is sourced from PubChem (CID 67048781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).