(3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole

C15H18N2O — CID 132516896

IUPAC(3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole
SMILESCO[C@@]12CCN[C@@H]1Cc1[nH]c3ccccc3c1C2
InChIInChI=1S/C15H18N2O/c1-18-15-6-7-16-14(15)8-13-11(9-15)10-4-2-3-5-12(10)17-13/h2-5,14,16-17H,6-9H2,1H3/t14-,15-/m1/s1
InChIKeyGZZICZZKEAZLMT-HUUCEWRRSA-N
MW242.32 g/mol
LogP2.01
Rot. Bonds1

About (3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole

(3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole (PubChem CID 132516896) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name(3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole
PubChem CID132516896
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole
SMILESCO[C@@]12CCN[C@@H]1Cc1[nH]c3ccccc3c1C2
InChIInChI=1S/C15H18N2O/c1-18-15-6-7-16-14(15)8-13-11(9-15)10-4-2-3-5-12(10)17-13/h2-5,14,16-17H,6-9H2,1H3/t14-,15-/m1/s1
InChIKeyGZZICZZKEAZLMT-HUUCEWRRSA-N
XLogP2.01
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one
CID 46197708
(6aR,10aS)-10a-methyl-5,6,6a,7,8,9,10,11-octahydrobenzo[b]carbazole
CID 134909159
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84739726
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 12762686
(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71051189
3-[(2S,3R)-3-chloro-3-methyl-1,2,4,9-tetrahydrocarbazol-2-yl]propanenitrile
CID 139066884
(3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate
CID 91386996

Frequently Asked Questions

What is the IUPAC name of (3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole?
The IUPAC name of (3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole (CID 132516896) is (3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole.
What is the SMILES notation for (3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole?
The canonical SMILES for (3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole is CO[C@@]12CCN[C@@H]1Cc1[nH]c3ccccc3c1C2.
What is the InChIKey of (3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole?
The InChIKey is GZZICZZKEAZLMT-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-15-6-7-16-14(15)8-13-11(9-15)10-4-2-3-5-12(10)17-13/h2-5,14,16-17H,6-9H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole?
(3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole has a molecular weight of 242.32 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,10aR)-3a-methoxy-2,3,4,9,10,10a-hexahydro-1H-pyrrolo[2,3-b]carbazole is sourced from PubChem (CID 132516896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).