8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole

C13H17NO — CID 12814605

IUPAC8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole
SMILESCOc1cccc2c1NC1CCCCC21
InChIInChI=1S/C13H17NO/c1-15-12-8-4-6-10-9-5-2-3-7-11(9)14-13(10)12/h4,6,8-9,11,14H,2-3,5,7H2,1H3
InChIKeyNJBFZAATFFVYFQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.15
Rot. Bonds1

About 8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole

8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole (PubChem CID 12814605) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole.

Molecular Properties

Compound Name8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole
PubChem CID12814605
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole
SMILESCOc1cccc2c1NC1CCCCC21
InChIInChI=1S/C13H17NO/c1-15-12-8-4-6-10-9-5-2-3-7-11(9)14-13(10)12/h4,6,8-9,11,14H,2-3,5,7H2,1H3
InChIKeyNJBFZAATFFVYFQ-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The IUPAC name of 8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole (CID 12814605) is 8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole.
What is the SMILES notation for 8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The canonical SMILES for 8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole is COc1cccc2c1NC1CCCCC21.
What is the InChIKey of 8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
The InChIKey is NJBFZAATFFVYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-12-8-4-6-10-9-5-2-3-7-11(9)14-13(10)12/h4,6,8-9,11,14H,2-3,5,7H2,1H3.
What are the key properties of 8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole?
8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole has a molecular weight of 203.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole is sourced from PubChem (CID 12814605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).