17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene

C22H18NO2P — CID 122214892

IUPAC17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene
SMILESc1ccc2c(c1)CC[C@H]2N1C2c3ccccc3OP1Oc1ccccc12
InChIInChI=1S/C22H18NO2P/c1-2-8-16-15(7-1)13-14-19(16)23-22-17-9-3-5-11-20(17)24-26(23)25-21-12-6-4-10-18(21)22/h1-12,19,22H,13-14H2/t19-,22?,26?/m1/s1
InChIKeyRYCRBIDAVNGVIM-XMCZHJCFSA-N
MW359.37 g/mol
LogP5.78
Rot. Bonds1

About 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene

17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene (PubChem CID 122214892) has the molecular formula C22H18NO2P and a molecular weight of 359.37 g/mol. Its IUPAC name is 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene.

Molecular Properties

Compound Name17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene
PubChem CID122214892
Molecular FormulaC22H18NO2P
Molecular Weight359.37 g/mol
Exact Mass359.11
IUPAC Name17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene
SMILESc1ccc2c(c1)CC[C@H]2N1C2c3ccccc3OP1Oc1ccccc12
InChIInChI=1S/C22H18NO2P/c1-2-8-16-15(7-1)13-14-19(16)23-22-17-9-3-5-11-20(17)24-26(23)25-21-12-6-4-10-18(21)22/h1-12,19,22H,13-14H2/t19-,22?,26?/m1/s1
InChIKeyRYCRBIDAVNGVIM-XMCZHJCFSA-N
XLogP5.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.37
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene with MolForge

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Related Compounds

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1-(2,3-dihydro-1H-inden-1-yl)indole
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2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
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1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaen-2-one
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1-(2,3-dihydro-1H-inden-1-yl)benzimidazole
CID 54576638
(11bR)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
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2-(2,3-dihydro-1H-inden-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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CID 122364481
1-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethylpiperidin-4-amine
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CID 56956907

Frequently Asked Questions

What is the IUPAC name of 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene?
The IUPAC name of 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene (CID 122214892) is 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene.
What is the SMILES notation for 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene?
The canonical SMILES for 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene is c1ccc2c(c1)CC[C@H]2N1C2c3ccccc3OP1Oc1ccccc12.
What is the InChIKey of 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene?
The InChIKey is RYCRBIDAVNGVIM-XMCZHJCFSA-N. The full InChI is InChI=1S/C22H18NO2P/c1-2-8-16-15(7-1)13-14-19(16)23-22-17-9-3-5-11-20(17)24-26(23)25-21-12-6-4-10-18(21)22/h1-12,19,22H,13-14H2/t19-,22?,26?/m1/s1.
What are the key properties of 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene?
17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene has a molecular weight of 359.37 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[(1R)-2,3-dihydro-1H-inden-1-yl]-8,10-dioxa-17-aza-9-phosphatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene is sourced from PubChem (CID 122214892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).