1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone

C9H17NO — CID 90251705

IUPAC1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](C(C)C)C1
InChIInChI=1S/C9H17NO/c1-7(2)9-4-5-10(6-9)8(3)11/h7,9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyCVZKETBJZSOJLN-VIFPVBQESA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds1

About 1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone

1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 90251705) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
PubChem CID90251705
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](C(C)C)C1
InChIInChI=1S/C9H17NO/c1-7(2)9-4-5-10(6-9)8(3)11/h7,9H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyCVZKETBJZSOJLN-VIFPVBQESA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone
CID 167480115
1-[4-(1-bromoethyl)piperidin-1-yl]ethanone
CID 106839275
(1-hydroxycyclopropyl)-[(3R)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176625352
N,3-di(propan-2-yl)pyrrolidine-1-carboxamide;molecular hydrogen
CID 169182520
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
N-tert-butyl-3-propan-2-ylpyrrolidine-1-carboxamide
CID 115695172
2-methyl-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 91076591
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 103747253

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone (CID 90251705) is 1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](C(C)C)C1.
What is the InChIKey of 1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is CVZKETBJZSOJLN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9-4-5-10(6-9)8(3)11/h7,9H,4-6H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone?
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 155.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 90251705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).