(1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]

C17H22N2 — CID 39902695

IUPAC(1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
SMILESC[C@H]1CCC[C@@]2(C1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C17H22N2/c1-12-5-4-9-17(11-12)16-14(8-10-18-17)13-6-2-3-7-15(13)19-16/h2-3,6-7,12,18-19H,4-5,8-11H2,1H3/t12-,17-/m0/s1
InChIKeyLPEYZMKDCFQJKR-SJCJKPOMSA-N
MW254.38 g/mol
LogP3.72
Rot. Bonds

About (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]

(1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] (PubChem CID 39902695) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane].

Molecular Properties

Compound Name(1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
PubChem CID39902695
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
SMILESC[C@H]1CCC[C@@]2(C1)NCCc1c2[nH]c2ccccc12
InChIInChI=1S/C17H22N2/c1-12-5-4-9-17(11-12)16-14(8-10-18-17)13-6-2-3-7-15(13)19-16/h2-3,6-7,12,18-19H,4-5,8-11H2,1H3/t12-,17-/m0/s1
InChIKeyLPEYZMKDCFQJKR-SJCJKPOMSA-N
XLogP3.72
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] with MolForge

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Related Compounds

spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 10083666
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]
CID 10332756
4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
CID 2415714
6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 142894035
(1R)-1-iodo-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71178701
2,2-dimethyl-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 110197708
2'-[(dimethylamino)methyl]-1'-(6-fluorocyclohepta-1,3,6-trien-1-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-ol
CID 143182001
3'-methylspiro[5,6-dihydro-4H-thieno[2,3-c]pyridine-7,1'-cyclohexane]
CID 165478749
6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 17339270
2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 110197533
1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 171976095
(3S,12bS)-3,12b-dimethyl-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizine
CID 800127

Frequently Asked Questions

What is the IUPAC name of (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]?
The IUPAC name of (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] (CID 39902695) is (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane].
What is the SMILES notation for (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]?
The canonical SMILES for (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] is C[C@H]1CCC[C@@]2(C1)NCCc1c2[nH]c2ccccc12.
What is the InChIKey of (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]?
The InChIKey is LPEYZMKDCFQJKR-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-5-4-9-17(11-12)16-14(8-10-18-17)13-6-2-3-7-15(13)19-16/h2-3,6-7,12,18-19H,4-5,8-11H2,1H3/t12-,17-/m0/s1.
What are the key properties of (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]?
(1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] has a molecular weight of 254.38 g/mol, XLogP of 3.72, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3'S)-3'-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane] is sourced from PubChem (CID 39902695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).