(4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole

C22H23NO — CID 102190403

IUPAC(4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole
SMILESCn1c2c(c3ccccc31)CC[C@H]1[C@@H]2CCO[C@H]1c1ccccc1
InChIInChI=1S/C22H23NO/c1-23-20-10-6-5-9-16(20)17-11-12-19-18(21(17)23)13-14-24-22(19)15-7-3-2-4-8-15/h2-10,18-19,22H,11-14H2,1H3/t18-,19-,22-/m0/s1
InChIKeyRQJNJKSOZUGPEN-IPJJNNNSSA-N
MW317.43 g/mol
LogP4.99
Rot. Bonds1

About (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole

(4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole (PubChem CID 102190403) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole.

Molecular Properties

Compound Name(4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole
PubChem CID102190403
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole
SMILESCn1c2c(c3ccccc31)CC[C@H]1[C@@H]2CCO[C@H]1c1ccccc1
InChIInChI=1S/C22H23NO/c1-23-20-10-6-5-9-16(20)17-11-12-19-18(21(17)23)13-14-24-22(19)15-7-3-2-4-8-15/h2-10,18-19,22H,11-14H2,1H3/t18-,19-,22-/m0/s1
InChIKeyRQJNJKSOZUGPEN-IPJJNNNSSA-N
XLogP4.99
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 15496458
methyl (10S,11R,12S)-8-methyl-12-phenyl-8,13-diazatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6-tetraene-11-carboxylate
CID 10066210
2-[(dimethylamino)methyl]-9-methyl-1,2,3,4-tetrahydrocarbazol-1-ol
CID 3027993
1-ethyl-9-methyl-3-phenyl-3,4-dihydro-1H-pyrano[3,4-b]indole
CID 102529877
16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene
CID 24864740
(1R,12S,15R)-3-methyl-3,13-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-ol
CID 155294428
5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
CID 146239877
1,9-dimethyl-2-propyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 58793158
(1R,12bS)-1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 23242606
1-ethyl-12-methyl-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine
CID 68817099
(1R,14R,15R)-14-ethyl-3-methyl-16-oxa-3,13-diazatetracyclo[11.2.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraen-15-amine
CID 23327272
16-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-5-one
CID 72724645

Frequently Asked Questions

What is the IUPAC name of (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole?
The IUPAC name of (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole (CID 102190403) is (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole.
What is the SMILES notation for (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole?
The canonical SMILES for (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole is Cn1c2c(c3ccccc31)CC[C@H]1[C@@H]2CCO[C@H]1c1ccccc1.
What is the InChIKey of (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole?
The InChIKey is RQJNJKSOZUGPEN-IPJJNNNSSA-N. The full InChI is InChI=1S/C22H23NO/c1-23-20-10-6-5-9-16(20)17-11-12-19-18(21(17)23)13-14-24-22(19)15-7-3-2-4-8-15/h2-10,18-19,22H,11-14H2,1H3/t18-,19-,22-/m0/s1.
What are the key properties of (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole?
(4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole has a molecular weight of 317.43 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,11bS)-11-methyl-4-phenyl-2,4,4a,5,6,11b-hexahydro-1H-pyrano[4,3-a]carbazole is sourced from PubChem (CID 102190403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).