(3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole

C24H27NO — CID 73349044

IUPAC(3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
SMILESCC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c4ccccc4n(C)c23)O1
InChIInChI=1S/C24H27NO/c1-16(2)9-8-13-24(4)14-12-19-22-20(15-17(3)23(19)26-24)18-10-6-7-11-21(18)25(22)5/h6-7,9-12,14-15H,8,13H2,1-5H3/t24-/m1/s1
InChIKeyXLSIOCJIGPSWIR-XMMPIXPASA-N
MW345.49 g/mol
LogP6.55
Rot. Bonds3

About (3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole

(3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole (PubChem CID 73349044) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is (3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name(3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
PubChem CID73349044
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name(3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
SMILESCC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c4ccccc4n(C)c23)O1
InChIInChI=1S/C24H27NO/c1-16(2)9-8-13-24(4)14-12-19-22-20(15-17(3)23(19)26-24)18-10-6-7-11-21(18)25(22)5/h6-7,9-12,14-15H,8,13H2,1-5H3/t24-/m1/s1
InChIKeyXLSIOCJIGPSWIR-XMMPIXPASA-N
XLogP6.55
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Mahanimbine
CID 167963
8-methoxy-3,3,5-trimethyl-11H-pyrano(3,2-a)carbazole
CID 97487
Girinimbine
CID 96943
Koenidine
CID 278055
3,8-Dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano(3,2-a)carbazol-9-ol
CID 375148
(R)-Mahanine
CID 375151
2-methoxy-3-methyl-9H-carbazole
CID 11052947
Mahanimbicine
CID 4072580
Pyrano[2,3-b]carbazol-8-ol, 2,10-dihydro-2,2,7-trimethyl-
CID 375149
(3R)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
CID 37888682
Curryangine
CID 375143
Currayanine
CID 375144

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole?
The IUPAC name of (3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole (CID 73349044) is (3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole.
What is the SMILES notation for (3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole?
The canonical SMILES for (3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole is CC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c4ccccc4n(C)c23)O1.
What is the InChIKey of (3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole?
The InChIKey is XLSIOCJIGPSWIR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27NO/c1-16(2)9-8-13-24(4)14-12-19-22-20(15-17(3)23(19)26-24)18-10-6-7-11-21(18)25(22)5/h6-7,9-12,14-15H,8,13H2,1-5H3/t24-/m1/s1.
What are the key properties of (3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole?
(3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole has a molecular weight of 345.49 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole is sourced from PubChem (CID 73349044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).