[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

C17H20N2O2 — CID 133140606

IUPAC[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCO[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-21-16-9-11-19(17(20)14-8-5-10-18-14)15(16)12-13-6-3-2-4-7-13/h2-8,10,15-16,18H,9,11-12H2,1H3/t15-,16-/m1/s1
InChIKeyFDQAFALVALMRHH-HZPDHXFCSA-N
MW284.36 g/mol
LogP2.49
Rot. Bonds4

About [(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 133140606) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID133140606
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCO[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-21-16-9-11-19(17(20)14-8-5-10-18-14)15(16)12-13-6-3-2-4-7-13/h2-8,10,15-16,18H,9,11-12H2,1H3/t15-,16-/m1/s1
InChIKeyFDQAFALVALMRHH-HZPDHXFCSA-N
XLogP2.49
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 133140606) is [(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is CO[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is FDQAFALVALMRHH-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-16-9-11-19(17(20)14-8-5-10-18-14)15(16)12-13-6-3-2-4-7-13/h2-8,10,15-16,18H,9,11-12H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 133140606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).