(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole

C13H15NO — CID 124507658

IUPAC(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
SMILESCO[C@H]1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H15NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-5,9,14H,6-8H2,1H3/t9-/m0/s1
InChIKeyLBDQOESAFXITJZ-VIFPVBQESA-N
MW201.27 g/mol
LogP2.67
Rot. Bonds1

About (3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole

(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 124507658) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID124507658
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
SMILESCO[C@H]1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H15NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-5,9,14H,6-8H2,1H3/t9-/m0/s1
InChIKeyLBDQOESAFXITJZ-VIFPVBQESA-N
XLogP2.67
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 65335385
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 23249177
(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 154734790
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
methyl (2R)-2-[[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino]hexanoate
CID 97308735
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of (3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole (CID 124507658) is (3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for (3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for (3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole is CO[C@H]1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of (3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is LBDQOESAFXITJZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-5,9,14H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole?
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 201.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 124507658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).