(2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C17H27N3O2 — CID 134804140

IUPAC(2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)N1CCCC1
InChIInChI=1S/C17H27N3O2/c21-16-5-3-4-15-14-8-13(10-20(15)16)9-18(11-14)12-17(22)19-6-1-2-7-19/h13-15H,1-12H2/t13?,14?,15-/m1/s1
InChIKeyYSFCKKZFAANANA-YMAMQOFZSA-N
MW305.42 g/mol
LogP0.94
Rot. Bonds2

About (2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 134804140) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID134804140
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)N1CCCC1
InChIInChI=1S/C17H27N3O2/c21-16-5-3-4-15-14-8-13(10-20(15)16)9-18(11-14)12-17(22)19-6-1-2-7-19/h13-15H,1-12H2/t13?,14?,15-/m1/s1
InChIKeyYSFCKKZFAANANA-YMAMQOFZSA-N
XLogP0.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 134804140) is (2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is O=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)N1CCCC1.
What is the InChIKey of (2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is YSFCKKZFAANANA-YMAMQOFZSA-N. The full InChI is InChI=1S/C17H27N3O2/c21-16-5-3-4-15-14-8-13(10-20(15)16)9-18(11-14)12-17(22)19-6-1-2-7-19/h13-15H,1-12H2/t13?,14?,15-/m1/s1.
What are the key properties of (2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 305.42 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-11-(2-oxo-2-pyrrolidin-1-ylethyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 134804140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).