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

C20H27N3O — CID 711074

IUPAC5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
SMILESCC(C)N1CC2(c3ccccc31)N1CC3(C)CN2CC(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
InChIKeyHOUCKWCIEWCJCL-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.29
Rot. Bonds1

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

5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one (PubChem CID 711074) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one.

Molecular Properties

Compound Name5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
PubChem CID711074
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
SMILESCC(C)N1CC2(c3ccccc31)N1CC3(C)CN2CC(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
InChIKeyHOUCKWCIEWCJCL-UHFFFAOYSA-N
XLogP2.29
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[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-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one (CID 711074) is 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[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-diazatricyclo[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-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one is CC(C)N1CC2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O.
What is the InChIKey of 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one?
The InChIKey is HOUCKWCIEWCJCL-UHFFFAOYSA-N. 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.
What are the key properties of 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one?
5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one has a molecular weight of 325.46 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one is sourced from PubChem (CID 711074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).