5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran]

C19H19NO — CID 70119571

IUPAC5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran]
SMILESCC1=C2c3ccccc3NC2C2(C=CC=CO2)C(C)=C1C
InChIInChI=1S/C19H19NO/c1-12-13(2)17-15-8-4-5-9-16(15)20-18(17)19(14(12)3)10-6-7-11-21-19/h4-11,18,20H,1-3H3
InChIKeyLFXOKCXNDHNSSR-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.44
Rot. Bonds

About 5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran]

5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran] (PubChem CID 70119571) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran].

Molecular Properties

Compound Name5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran]
PubChem CID70119571
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran]
SMILESCC1=C2c3ccccc3NC2C2(C=CC=CO2)C(C)=C1C
InChIInChI=1S/C19H19NO/c1-12-13(2)17-15-8-4-5-9-16(15)20-18(17)19(14(12)3)10-6-7-11-21-19/h4-11,18,20H,1-3H3
InChIKeyLFXOKCXNDHNSSR-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran]?
The IUPAC name of 5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran] (CID 70119571) is 5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran].
What is the SMILES notation for 5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran]?
The canonical SMILES for 5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran] is CC1=C2c3ccccc3NC2C2(C=CC=CO2)C(C)=C1C.
What is the InChIKey of 5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran]?
The InChIKey is LFXOKCXNDHNSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-12-13(2)17-15-8-4-5-9-16(15)20-18(17)19(14(12)3)10-6-7-11-21-19/h4-11,18,20H,1-3H3.
What are the key properties of 5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran]?
5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran] has a molecular weight of 277.37 g/mol, XLogP of 4.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethylspiro[8a,9-dihydrocarbazole-8,2'-pyran] is sourced from PubChem (CID 70119571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).