2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane]

C22H29N — CID 166941843

IUPAC2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane]
SMILESCC1(C)CC2(CN1c1ccccc1)C1CC3CC4CC2C1(C3)C4
InChIInChI=1S/C22H29N/c1-20(2)13-22(14-23(20)17-6-4-3-5-7-17)18-9-15-8-16-10-19(22)21(18,11-15)12-16/h3-7,15-16,18-19H,8-14H2,1-2H3
InChIKeyDJTBLFPSUSSMGE-UHFFFAOYSA-N
MW307.48 g/mol
LogP5.12
Rot. Bonds1

About 2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane]

2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane] (PubChem CID 166941843) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane].

Molecular Properties

Compound Name2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane]
PubChem CID166941843
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane]
SMILESCC1(C)CC2(CN1c1ccccc1)C1CC3CC4CC2C1(C3)C4
InChIInChI=1S/C22H29N/c1-20(2)13-22(14-23(20)17-6-4-3-5-7-17)18-9-15-8-16-10-19(22)21(18,11-15)12-16/h3-7,15-16,18-19H,8-14H2,1-2H3
InChIKeyDJTBLFPSUSSMGE-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane]?
The IUPAC name of 2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane] (CID 166941843) is 2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane].
What is the SMILES notation for 2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane]?
The canonical SMILES for 2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane] is CC1(C)CC2(CN1c1ccccc1)C1CC3CC4CC2C1(C3)C4.
What is the InChIKey of 2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane]?
The InChIKey is DJTBLFPSUSSMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-20(2)13-22(14-23(20)17-6-4-3-5-7-17)18-9-15-8-16-10-19(22)21(18,11-15)12-16/h3-7,15-16,18-19H,8-14H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane]?
2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane] has a molecular weight of 307.48 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-phenylspiro[pyrrolidine-4,4'-tetracyclo[5.3.1.03,9.05,9]undecane] is sourced from PubChem (CID 166941843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).