(2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one

C17H20N2O — CID 46197708

IUPAC(2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one
SMILESC[C@@H]1Cc2[nH]c3ccccc3c2C[C@@]12CCCNC2=O
InChIInChI=1S/C17H20N2O/c1-11-9-15-13(12-5-2-3-6-14(12)19-15)10-17(11)7-4-8-18-16(17)20/h2-3,5-6,11,19H,4,7-10H2,1H3,(H,18,20)/t11-,17+/m1/s1
InChIKeyUFRJWYSGNKJQHN-DIFFPNOSSA-N
MW268.36 g/mol
LogP2.80
Rot. Bonds

About (2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one

(2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one (PubChem CID 46197708) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one.

Molecular Properties

Compound Name(2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one
PubChem CID46197708
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one
SMILESC[C@@H]1Cc2[nH]c3ccccc3c2C[C@@]12CCCNC2=O
InChIInChI=1S/C17H20N2O/c1-11-9-15-13(12-5-2-3-6-14(12)19-15)10-17(11)7-4-8-18-16(17)20/h2-3,5-6,11,19H,4,7-10H2,1H3,(H,18,20)/t11-,17+/m1/s1
InChIKeyUFRJWYSGNKJQHN-DIFFPNOSSA-N
XLogP2.80
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 132516896
(6S,7R)-7-methyl-8-[2-(2-methyl-1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 155917065
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84739726
2-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 4165022
(3R)-2-cyclobutyl-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 154987704
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71051189
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one?
The IUPAC name of (2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one (CID 46197708) is (2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one.
What is the SMILES notation for (2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one?
The canonical SMILES for (2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one is C[C@@H]1Cc2[nH]c3ccccc3c2C[C@@]12CCCNC2=O.
What is the InChIKey of (2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one?
The InChIKey is UFRJWYSGNKJQHN-DIFFPNOSSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-9-15-13(12-5-2-3-6-14(12)19-15)10-17(11)7-4-8-18-16(17)20/h2-3,5-6,11,19H,4,7-10H2,1H3,(H,18,20)/t11-,17+/m1/s1.
What are the key properties of (2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one?
(2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one has a molecular weight of 268.36 g/mol, XLogP of 2.80, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methylspiro[1,2,4,9-tetrahydrocarbazole-3,3'-piperidine]-2'-one is sourced from PubChem (CID 46197708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).