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

C21H28N2O2 — CID 70047944

IUPAC1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(CC1CCc2ccccc2C1)C1CCN[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C21H28N2O2/c24-19(14-15-7-8-16-5-1-2-6-17(16)13-15)18-9-10-22-20(18)21(25)23-11-3-4-12-23/h1-2,5-6,15,18,20,22H,3-4,7-14H2/t15?,18?,20-/m1/s1
InChIKeyJQHJFMLGNDBDHX-PKUWUEBNSA-N
MW340.47 g/mol
LogP2.35
Rot. Bonds4

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

1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 70047944) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
PubChem CID70047944
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(CC1CCc2ccccc2C1)C1CCN[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C21H28N2O2/c24-19(14-15-7-8-16-5-1-2-6-17(16)13-15)18-9-10-22-20(18)21(25)23-11-3-4-12-23/h1-2,5-6,15,18,20,22H,3-4,7-14H2/t15?,18?,20-/m1/s1
InChIKeyJQHJFMLGNDBDHX-PKUWUEBNSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]ethanone
CID 70047653
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(1,3-thiazolidine-3-carbothioyl)pyrrolidin-3-yl]ethanone
CID 57183419
1-[(2S)-2-[(2S)-2-(diethoxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-3-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one
CID 22852946
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]ethanone
CID 18645781
[(2S)-2-(pyrrolidine-1-carbonyl)-4-sulfanylidenepyrrolidin-3-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 18645762
1-(4-aminopiperidin-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone;hydrochloride
CID 119375839
1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethanone
CID 10022186
2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
CID 129362346
(2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 15021263
(2S)-1-[2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 15021264
(2R)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 54196372
N-(2-methylpiperidin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 120599788

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (CID 70047944) is 1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is O=C(CC1CCc2ccccc2C1)C1CCN[C@H]1C(=O)N1CCCC1.
What is the InChIKey of 1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is JQHJFMLGNDBDHX-PKUWUEBNSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-19(14-15-7-8-16-5-1-2-6-17(16)13-15)18-9-10-22-20(18)21(25)23-11-3-4-12-23/h1-2,5-6,15,18,20,22H,3-4,7-14H2/t15?,18?,20-/m1/s1.
What are the key properties of 1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 340.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 70047944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).