4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine

C17H21NO2 — CID 10956622

IUPAC4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine
SMILESC1=C[C@H](N2CCOCC2)C[C@H]2c3ccccc3OC[C@@H]12
InChIInChI=1S/C17H21NO2/c1-2-4-17-15(3-1)16-11-14(6-5-13(16)12-20-17)18-7-9-19-10-8-18/h1-6,13-14,16H,7-12H2/t13-,14+,16-/m1/s1
InChIKeyABRCQXJLWNUUGL-IJEWVQPXSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds1

About 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine

4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine (PubChem CID 10956622) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine.

Molecular Properties

Compound Name4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine
PubChem CID10956622
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine
SMILESC1=C[C@H](N2CCOCC2)C[C@H]2c3ccccc3OC[C@@H]12
InChIInChI=1S/C17H21NO2/c1-2-4-17-15(3-1)16-11-14(6-5-13(16)12-20-17)18-7-9-19-10-8-18/h1-6,13-14,16H,7-12H2/t13-,14+,16-/m1/s1
InChIKeyABRCQXJLWNUUGL-IJEWVQPXSA-N
XLogP2.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine with MolForge

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Related Compounds

tert-butyl N-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10716054
1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
CID 125478085
2,3-dihydro-1-benzofuran-3-yl-(3-phenylmorpholin-4-yl)methanone
CID 71993262
4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine
CID 22760893
(3S)-3-morpholin-4-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 744322
2,3-dihydro-1-benzofuran-3-ol
CID 585896
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
(3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole
CID 51860458
4-morpholin-4-ylcyclopent-2-ene-1-carboxylic acid
CID 79688030
[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine
CID 79229754
2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine
CID 65351501

Frequently Asked Questions

What is the IUPAC name of 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine?
The IUPAC name of 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine (CID 10956622) is 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine.
What is the SMILES notation for 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine?
The canonical SMILES for 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine is C1=C[C@H](N2CCOCC2)C[C@H]2c3ccccc3OC[C@@H]12.
What is the InChIKey of 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine?
The InChIKey is ABRCQXJLWNUUGL-IJEWVQPXSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-4-17-15(3-1)16-11-14(6-5-13(16)12-20-17)18-7-9-19-10-8-18/h1-6,13-14,16H,7-12H2/t13-,14+,16-/m1/s1.
What are the key properties of 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine?
4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine has a molecular weight of 271.36 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6aS,9R,10aR)-6a,9,10,10a-tetrahydro-6H-benzo[c]chromen-9-yl]morpholine is sourced from PubChem (CID 10956622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).