[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

C17H20N2O — CID 124570113

IUPAC[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc[nH]2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H20N2O/c1-17(2)12-19(16(20)15-9-6-10-18-15)11-14(17)13-7-4-3-5-8-13/h3-10,14,18H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyRVRVHOCRRABRMR-CQSZACIVSA-N
MW268.36 g/mol
LogP3.28
Rot. Bonds2

About [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 124570113) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID124570113
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc[nH]2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H20N2O/c1-17(2)12-19(16(20)15-9-6-10-18-15)11-14(17)13-7-4-3-5-8-13/h3-10,14,18H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyRVRVHOCRRABRMR-CQSZACIVSA-N
XLogP3.28
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 124570113) is [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is CC1(C)CN(C(=O)c2ccc[nH]2)C[C@@H]1c1ccccc1.
What is the InChIKey of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is RVRVHOCRRABRMR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2)12-19(16(20)15-9-6-10-18-15)11-14(17)13-7-4-3-5-8-13/h3-10,14,18H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 268.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 124570113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).