(7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene

C16H22NOP — CID 122222800

IUPAC(7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene
SMILESCC1=C(C)C2(C)P3N(C)[C@@H](c4ccco4)C2(C)C13C
InChIInChI=1S/C16H22NOP/c1-10-11(2)16(5)14(3)13(12-8-7-9-18-12)17(6)19(16)15(10,14)4/h7-9,13H,1-6H3/t13-,14?,15?,16?,19?/m0/s1
InChIKeyRGMNHLWZIGCHNQ-IWUURBKTSA-N
MW275.33 g/mol
LogP4.55
Rot. Bonds1

About (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene

(7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene (PubChem CID 122222800) has the molecular formula C16H22NOP and a molecular weight of 275.33 g/mol. Its IUPAC name is (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene.

Molecular Properties

Compound Name(7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene
PubChem CID122222800
Molecular FormulaC16H22NOP
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene
SMILESCC1=C(C)C2(C)P3N(C)[C@@H](c4ccco4)C2(C)C13C
InChIInChI=1S/C16H22NOP/c1-10-11(2)16(5)14(3)13(12-8-7-9-18-12)17(6)19(16)15(10,14)4/h7-9,13H,1-6H3/t13-,14?,15?,16?,19?/m0/s1
InChIKeyRGMNHLWZIGCHNQ-IWUURBKTSA-N
XLogP4.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene with MolForge

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Related Compounds

2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
CID 7045891
2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane
CID 907246
1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 15056816
2-(furan-2-yl)-1-methylpyrrolidin-3-one
CID 83826796
2-(1,3-dimethyl-2H-inden-2-yl)furan
CID 10036025
2-(5,5-dimethyloxolan-2-yl)furan
CID 21036269
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
(1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline
CID 101333892
3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine
CID 165498088
3-(furan-2-yl)-4-methylmorpholin-2-one
CID 15134388
2-(3,3-dimethyl-4-propan-2-yloxetan-2-yl)furan
CID 58640585
(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde
CID 59963922

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene?
The IUPAC name of (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene (CID 122222800) is (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene.
What is the SMILES notation for (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene?
The canonical SMILES for (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene is CC1=C(C)C2(C)P3N(C)[C@@H](c4ccco4)C2(C)C13C.
What is the InChIKey of (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene?
The InChIKey is RGMNHLWZIGCHNQ-IWUURBKTSA-N. The full InChI is InChI=1S/C16H22NOP/c1-10-11(2)16(5)14(3)13(12-8-7-9-18-12)17(6)19(16)15(10,14)4/h7-9,13H,1-6H3/t13-,14?,15?,16?,19?/m0/s1.
What are the key properties of (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene?
(7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene has a molecular weight of 275.33 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene is sourced from PubChem (CID 122222800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).