9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole

C21H23NO — CID 122400211

IUPAC9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole
SMILESCCCCc1ccc2c(c1)[nH]c1ccc3c(c12)C=CC(C)(C)O3
InChIInChI=1S/C21H23NO/c1-4-5-6-14-7-8-15-18(13-14)22-17-9-10-19-16(20(15)17)11-12-21(2,3)23-19/h7-13,22H,4-6H2,1-3H3
InChIKeyGBWJDOVSRQCODR-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.85
Rot. Bonds3

About 9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole

9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole (PubChem CID 122400211) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole.

Molecular Properties

Compound Name9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole
PubChem CID122400211
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole
SMILESCCCCc1ccc2c(c1)[nH]c1ccc3c(c12)C=CC(C)(C)O3
InChIInChI=1S/C21H23NO/c1-4-5-6-14-7-8-15-18(13-14)22-17-9-10-19-16(20(15)17)11-12-21(2,3)23-19/h7-13,22H,4-6H2,1-3H3
InChIKeyGBWJDOVSRQCODR-UHFFFAOYSA-N
XLogP5.85
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3,3-dimethyl-7H-pyrano[2,3-c]carbazole-10-carboxylate
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10-tetradecyl-7H-benzo[c]carbazole
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2-[7-(2-hydroxyethyl)-9H-carbazol-2-yl]ethanol
CID 67360001
3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 162837479
8,8-dimethyl-3-(4-pentyl-2-phenylmethoxyphenyl)-2H-pyrano[2,3-f]chromene
CID 139397836
(7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate
CID 67863263
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810

Frequently Asked Questions

What is the IUPAC name of 9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole?
The IUPAC name of 9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole (CID 122400211) is 9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole.
What is the SMILES notation for 9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole?
The canonical SMILES for 9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole is CCCCc1ccc2c(c1)[nH]c1ccc3c(c12)C=CC(C)(C)O3.
What is the InChIKey of 9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole?
The InChIKey is GBWJDOVSRQCODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-4-5-6-14-7-8-15-18(13-14)22-17-9-10-19-16(20(15)17)11-12-21(2,3)23-19/h7-13,22H,4-6H2,1-3H3.
What are the key properties of 9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole?
9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole has a molecular weight of 305.42 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole is sourced from PubChem (CID 122400211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).