(11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole

C17H17N — CID 134967547

IUPAC(11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole
SMILESC[C@]12N=C3CCCCC3=C1C=Cc1ccccc12
InChIInChI=1S/C17H17N/c1-17-14-8-4-2-6-12(14)10-11-15(17)13-7-3-5-9-16(13)18-17/h2,4,6,8,10-11H,3,5,7,9H2,1H3/t17-/m1/s1
InChIKeyCSVYHFKPZQENQP-QGZVFWFLSA-N
MW235.33 g/mol
LogP4.25
Rot. Bonds

About (11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole

(11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole (PubChem CID 134967547) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole.

Molecular Properties

Compound Name(11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole
PubChem CID134967547
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole
SMILESC[C@]12N=C3CCCCC3=C1C=Cc1ccccc12
InChIInChI=1S/C17H17N/c1-17-14-8-4-2-6-12(14)10-11-15(17)13-7-3-5-9-16(13)18-17/h2,4,6,8,10-11H,3,5,7,9H2,1H3/t17-/m1/s1
InChIKeyCSVYHFKPZQENQP-QGZVFWFLSA-N
XLogP4.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,3,3-tetramethylspiro[cyclobutane-2,1'-indene]
CID 58564330
(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 154303446
2,6-bis(1-methylinden-1-yl)pyridine
CID 139415880
tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene
CID 154168790
5,5,6-trimethylbenzo[7]annulene
CID 144827582
8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene
CID 70139204
7b-methyl-1,1a-dihydrocyclopropa[a]naphthalene
CID 142093034
ethane;(2-isocyano-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy-trimethylsilane
CID 91247385
1-methyl-1-trimethylsilyloxynaphthalen-2-one
CID 10800462
(NE)-N-spiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-ylidenehydroxylamine
CID 22799756
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 18626557

Frequently Asked Questions

What is the IUPAC name of (11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole?
The IUPAC name of (11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole (CID 134967547) is (11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole.
What is the SMILES notation for (11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole?
The canonical SMILES for (11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole is C[C@]12N=C3CCCCC3=C1C=Cc1ccccc12.
What is the InChIKey of (11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole?
The InChIKey is CSVYHFKPZQENQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17N/c1-17-14-8-4-2-6-12(14)10-11-15(17)13-7-3-5-9-16(13)18-17/h2,4,6,8,10-11H,3,5,7,9H2,1H3/t17-/m1/s1.
What are the key properties of (11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole?
(11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole has a molecular weight of 235.33 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11aR)-11a-methyl-7,8,9,10-tetrahydrobenzo[a]carbazole is sourced from PubChem (CID 134967547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).