2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone

C20H30N4O — CID 96570753

IUPAC2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1c1ncccn1)N1CCCC2(CCCCCC2)C1
InChIInChI=1S/C20H30N4O/c25-18(17-8-5-15-24(17)19-21-12-7-13-22-19)23-14-6-11-20(16-23)9-3-1-2-4-10-20/h7,12-13,17H,1-6,8-11,14-16H2/t17-/m1/s1
InChIKeyTZVRBOVAPXXMKL-QGZVFWFLSA-N
MW342.49 g/mol
LogP3.41
Rot. Bonds2

About 2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone

2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone (PubChem CID 96570753) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone
PubChem CID96570753
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1c1ncccn1)N1CCCC2(CCCCCC2)C1
InChIInChI=1S/C20H30N4O/c25-18(17-8-5-15-24(17)19-21-12-7-13-22-19)23-14-6-11-20(16-23)9-3-1-2-4-10-20/h7,12-13,17H,1-6,8-11,14-16H2/t17-/m1/s1
InChIKeyTZVRBOVAPXXMKL-QGZVFWFLSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone?
The IUPAC name of 2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone (CID 96570753) is 2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone.
What is the SMILES notation for 2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone?
The canonical SMILES for 2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1c1ncccn1)N1CCCC2(CCCCCC2)C1.
What is the InChIKey of 2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone?
The InChIKey is TZVRBOVAPXXMKL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N4O/c25-18(17-8-5-15-24(17)19-21-12-7-13-22-19)23-14-6-11-20(16-23)9-3-1-2-4-10-20/h7,12-13,17H,1-6,8-11,14-16H2/t17-/m1/s1.
What are the key properties of 2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone?
2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone has a molecular weight of 342.49 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.6]dodecan-2-yl-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 96570753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).