7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole

C17H25NO3 — CID 123708949

IUPAC7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
SMILESCOc1ccc2c(c1)OCC1C2CCN1COC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-11-18-8-7-13-14-6-5-12(19-4)9-16(14)20-10-15(13)18/h5-6,9,13,15H,7-8,10-11H2,1-4H3
InChIKeyIYVZCOVZHZQZKZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.02
Rot. Bonds3

About 7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole

7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole (PubChem CID 123708949) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole.

Molecular Properties

Compound Name7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
PubChem CID123708949
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
SMILESCOc1ccc2c(c1)OCC1C2CCN1COC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-11-18-8-7-13-14-6-5-12(19-4)9-16(14)20-10-15(13)18/h5-6,9,13,15H,7-8,10-11H2,1-4H3
InChIKeyIYVZCOVZHZQZKZ-UHFFFAOYSA-N
XLogP3.02
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The IUPAC name of 7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole (CID 123708949) is 7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole.
What is the SMILES notation for 7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The canonical SMILES for 7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole is COc1ccc2c(c1)OCC1C2CCN1COC(C)(C)C.
What is the InChIKey of 7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
The InChIKey is IYVZCOVZHZQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,3)21-11-18-8-7-13-14-6-5-12(19-4)9-16(14)20-10-15(13)18/h5-6,9,13,15H,7-8,10-11H2,1-4H3.
What are the key properties of 7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole?
7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole has a molecular weight of 291.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole is sourced from PubChem (CID 123708949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).