3-methoxy-9,9a-dihydro-4aH-carbazole

C13H13NO — CID 58078019

IUPAC3-methoxy-9,9a-dihydro-4aH-carbazole
SMILESCOC1=CC2c3ccccc3NC2C=C1
InChIInChI=1S/C13H13NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,11,13-14H,1H3
InChIKeyYCFJZJULNGAYOH-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.66
Rot. Bonds1

About 3-methoxy-9,9a-dihydro-4aH-carbazole

3-methoxy-9,9a-dihydro-4aH-carbazole (PubChem CID 58078019) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-methoxy-9,9a-dihydro-4aH-carbazole.

Molecular Properties

Compound Name3-methoxy-9,9a-dihydro-4aH-carbazole
PubChem CID58078019
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-methoxy-9,9a-dihydro-4aH-carbazole
SMILESCOC1=CC2c3ccccc3NC2C=C1
InChIInChI=1S/C13H13NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,11,13-14H,1H3
InChIKeyYCFJZJULNGAYOH-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4aR)-9,9a-dihydro-4aH-carbazole
CID 90146984
3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole
CID 163628284
11,11a-dihydro-6aH-[1]benzothiolo[3,2-b]carbazole
CID 118682475
methyl (2R,4R)-4-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 67722375
1,3a,4,8b-tetrahydropyrrolo[3,4-b]indole
CID 173218811
(1S,8S,9S,12R)-10-azatetracyclo[6.4.2.29,12.02,7]hexadeca-2,4,6,13,15-pentaen-11-one
CID 10846733
(3aS,4R,9bS)-4-(5-bromo-2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6969702
11-methoxy-6-methyl-7,8,8a,12a-tetrahydro-6aH-benzo[a]phenanthridine
CID 19824111
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853
methyl 4-[(3aR,4S,9bR)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
CID 7111446
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3245937
(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 95970001

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9,9a-dihydro-4aH-carbazole?
The IUPAC name of 3-methoxy-9,9a-dihydro-4aH-carbazole (CID 58078019) is 3-methoxy-9,9a-dihydro-4aH-carbazole.
What is the SMILES notation for 3-methoxy-9,9a-dihydro-4aH-carbazole?
The canonical SMILES for 3-methoxy-9,9a-dihydro-4aH-carbazole is COC1=CC2c3ccccc3NC2C=C1.
What is the InChIKey of 3-methoxy-9,9a-dihydro-4aH-carbazole?
The InChIKey is YCFJZJULNGAYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,11,13-14H,1H3.
What are the key properties of 3-methoxy-9,9a-dihydro-4aH-carbazole?
3-methoxy-9,9a-dihydro-4aH-carbazole has a molecular weight of 199.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9,9a-dihydro-4aH-carbazole is sourced from PubChem (CID 58078019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).