(3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine]

C17H24N2 — CID 67304505

IUPAC(3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine]
SMILESCN1CC[C@H]2CC3(CCNCC3)c3ccccc3[C@H]21
InChIInChI=1S/C17H24N2/c1-19-11-6-13-12-17(7-9-18-10-8-17)15-5-3-2-4-14(15)16(13)19/h2-5,13,16,18H,6-12H2,1H3/t13-,16-/m0/s1
InChIKeyGFMAZIZMCMLYRY-BBRMVZONSA-N
MW256.39 g/mol
LogP2.70
Rot. Bonds

About (3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine]

(3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine] (PubChem CID 67304505) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine].

Molecular Properties

Compound Name(3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine]
PubChem CID67304505
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine]
SMILESCN1CC[C@H]2CC3(CCNCC3)c3ccccc3[C@H]21
InChIInChI=1S/C17H24N2/c1-19-11-6-13-12-17(7-9-18-10-8-17)15-5-3-2-4-14(15)16(13)19/h2-5,13,16,18H,6-12H2,1H3/t13-,16-/m0/s1
InChIKeyGFMAZIZMCMLYRY-BBRMVZONSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine]?
The IUPAC name of (3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine] (CID 67304505) is (3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine].
What is the SMILES notation for (3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine]?
The canonical SMILES for (3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine] is CN1CC[C@H]2CC3(CCNCC3)c3ccccc3[C@H]21.
What is the InChIKey of (3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine]?
The InChIKey is GFMAZIZMCMLYRY-BBRMVZONSA-N. The full InChI is InChI=1S/C17H24N2/c1-19-11-6-13-12-17(7-9-18-10-8-17)15-5-3-2-4-14(15)16(13)19/h2-5,13,16,18H,6-12H2,1H3/t13-,16-/m0/s1.
What are the key properties of (3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine]?
(3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine] has a molecular weight of 256.39 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bS)-1-methylspiro[3,3a,4,9b-tetrahydro-2H-benzo[g]indole-5,4'-piperidine] is sourced from PubChem (CID 67304505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).