azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone

C11H20N2O — CID 118447951

IUPACazetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
SMILESCC[C@@]1(C)CCN(C(=O)N2CCC2)C1
InChIInChI=1S/C11H20N2O/c1-3-11(2)5-8-13(9-11)10(14)12-6-4-7-12/h3-9H2,1-2H3/t11-/m0/s1
InChIKeyAZJHCQRDEKYZNS-NSHDSACASA-N
MW196.29 g/mol
LogP1.93
Rot. Bonds1

About azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone

azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone (PubChem CID 118447951) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
PubChem CID118447951
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameazetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
SMILESCC[C@@]1(C)CCN(C(=O)N2CCC2)C1
InChIInChI=1S/C11H20N2O/c1-3-11(2)5-8-13(9-11)10(14)12-6-4-7-12/h3-9H2,1-2H3/t11-/m0/s1
InChIKeyAZJHCQRDEKYZNS-NSHDSACASA-N
XLogP1.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 144942209
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 118447158
(2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane
CID 144942226
(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103727843
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 130762944
[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 147863064
2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120992499
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119789084
(3-ethyl-3-hydroxyazetidin-1-yl)-piperidin-1-ylmethanone
CID 79156175
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 119789099
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone (CID 118447951) is azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone is CC[C@@]1(C)CCN(C(=O)N2CCC2)C1.
What is the InChIKey of azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is AZJHCQRDEKYZNS-NSHDSACASA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-11(2)5-8-13(9-11)10(14)12-6-4-7-12/h3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone?
azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 196.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 118447951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).