1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone

C21H28N2O2 — CID 10449942

IUPAC1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
SMILESO=C([C@@H]1CCCN1C(=O)C[C@H]1CCc2ccccc2C1)N1CCCC1
InChIInChI=1S/C21H28N2O2/c24-20(15-16-9-10-17-6-1-2-7-18(17)14-16)23-13-5-8-19(23)21(25)22-11-3-4-12-22/h1-2,6-7,16,19H,3-5,8-15H2/t16-,19-/m0/s1
InChIKeyIEPYCHWOKPVQIY-LPHOPBHVSA-N
MW340.47 g/mol
LogP2.80
Rot. Bonds3

About 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone

1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone (PubChem CID 10449942) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
PubChem CID10449942
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
SMILESO=C([C@@H]1CCCN1C(=O)C[C@H]1CCc2ccccc2C1)N1CCCC1
InChIInChI=1S/C21H28N2O2/c24-20(15-16-9-10-17-6-1-2-7-18(17)14-16)23-13-5-8-19(23)21(25)22-11-3-4-12-22/h1-2,6-7,16,19H,3-5,8-15H2/t16-,19-/m0/s1
InChIKeyIEPYCHWOKPVQIY-LPHOPBHVSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone (CID 10449942) is 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone is O=C([C@@H]1CCCN1C(=O)C[C@H]1CCc2ccccc2C1)N1CCCC1.
What is the InChIKey of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The InChIKey is IEPYCHWOKPVQIY-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-20(15-16-9-10-17-6-1-2-7-18(17)14-16)23-13-5-8-19(23)21(25)22-11-3-4-12-22/h1-2,6-7,16,19H,3-5,8-15H2/t16-,19-/m0/s1.
What are the key properties of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone has a molecular weight of 340.47 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone is sourced from PubChem (CID 10449942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).