5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one

C20H29N3O+2 — CID 5094874

IUPAC5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
SMILESCC(C)N1CC2(c3ccccc31)[NH+]1CC3(C)C[NH+]2CC(C)(C1)C3=O
InChIInChI=1S/C20H27N3O/c1-14(2)23-13-20(15-7-5-6-8-16(15)23)21-9-18(3)10-22(20)12-19(4,11-21)17(18)24/h5-8,14H,9-13H2,1-4H3/p+2
InChIKeyHOUCKWCIEWCJCL-UHFFFAOYSA-P
MW327.47 g/mol
LogP-0.54
Rot. Bonds1

About 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one

5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one (PubChem CID 5094874) has the molecular formula C20H29N3O+2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one.

Molecular Properties

Compound Name5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
PubChem CID5094874
Molecular FormulaC20H29N3O+2
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
SMILESCC(C)N1CC2(c3ccccc31)[NH+]1CC3(C)C[NH+]2CC(C)(C1)C3=O
InChIInChI=1S/C20H27N3O/c1-14(2)23-13-20(15-7-5-6-8-16(15)23)21-9-18(3)10-22(20)12-19(4,11-21)17(18)24/h5-8,14H,9-13H2,1-4H3/p+2
InChIKeyHOUCKWCIEWCJCL-UHFFFAOYSA-P
XLogP-0.54
TPSA29.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5r,7s)-1'-benzyl-5,7-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 654492
5,5'-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 907670
5,7-Diisopropyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione
CID 1367557
1'-isopropyl-5,7-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 697193
5,7-dimethyl-1'-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 702963
5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
CID 711074
1',5,7-trimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 720481
1'-ethyl-5,7-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 720483
(5r,7s)-5,5',7-Trimethyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione
CID 752242
(1S,5R,7S)-5-methyl-7-propyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione
CID 752763
1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
CID 1082245
5,7-Diethyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione
CID 3746485

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one?
The IUPAC name of 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one (CID 5094874) is 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one.
What is the SMILES notation for 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one?
The canonical SMILES for 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one is CC(C)N1CC2(c3ccccc31)[NH+]1CC3(C)C[NH+]2CC(C)(C1)C3=O.
What is the InChIKey of 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one?
The InChIKey is HOUCKWCIEWCJCL-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H27N3O/c1-14(2)23-13-20(15-7-5-6-8-16(15)23)21-9-18(3)10-22(20)12-19(4,11-21)17(18)24/h5-8,14H,9-13H2,1-4H3/p+2.
What are the key properties of 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one?
5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one has a molecular weight of 327.47 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one is sourced from PubChem (CID 5094874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).