2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol

C17H22N2O — CID 132578302

IUPAC2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol
SMILESOCC[C@]12CCCN[C@@H]1c1c([nH]c3ccccc13)CC2
InChIInChI=1S/C17H22N2O/c20-11-9-17-7-3-10-18-16(17)15-12-4-1-2-5-13(12)19-14(15)6-8-17/h1-2,4-5,16,18-20H,3,6-11H2/t16-,17-/m1/s1
InChIKeyPOTGVULZWHGINY-IAGOWNOFSA-N
MW270.38 g/mol
LogP2.91
Rot. Bonds2

About 2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol

2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol (PubChem CID 132578302) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol.

Molecular Properties

Compound Name2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol
PubChem CID132578302
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol
SMILESOCC[C@]12CCCN[C@@H]1c1c([nH]c3ccccc13)CC2
InChIInChI=1S/C17H22N2O/c20-11-9-17-7-3-10-18-16(17)15-12-4-1-2-5-13(12)19-14(15)6-8-17/h1-2,4-5,16,18-20H,3,6-11H2/t16-,17-/m1/s1
InChIKeyPOTGVULZWHGINY-IAGOWNOFSA-N
XLogP2.91
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4aS,11cS)-4a-methyl-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazole
CID 10900760
(4aR,11cR)-4a-ethyl-2,3,4,5,7,11c-hexahydro-1H-pyrido[3,2-c]carbazol-6-one
CID 134841926
(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 9350450
1-[(4aS,11cS)-4a-ethyl-3,4,5,6,7,11c-hexahydro-2H-pyrido[3,2-c]carbazol-1-yl]-2-iodoethanone
CID 11464342
2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-1-carboxylic acid
CID 12627214
1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177006
N-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333308
N-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)propanamide
CID 10824090
(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71051189
2-[1-[(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)methyl]cyclopropyl]ethanol
CID 114756055
1-undecyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177063
2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol
CID 24767757

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol?
The IUPAC name of 2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol (CID 132578302) is 2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol.
What is the SMILES notation for 2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol?
The canonical SMILES for 2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol is OCC[C@]12CCCN[C@@H]1c1c([nH]c3ccccc13)CC2.
What is the InChIKey of 2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol?
The InChIKey is POTGVULZWHGINY-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H22N2O/c20-11-9-17-7-3-10-18-16(17)15-12-4-1-2-5-13(12)19-14(15)6-8-17/h1-2,4-5,16,18-20H,3,6-11H2/t16-,17-/m1/s1.
What are the key properties of 2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol?
2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol has a molecular weight of 270.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,11cS)-1,2,3,4,5,6,7,11c-octahydropyrido[3,2-c]carbazol-4a-yl]ethanol is sourced from PubChem (CID 132578302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).