2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone

C11H20N2O — CID 141270619

IUPAC2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone
SMILESC=CC[C@@H]1CNC(C)(C)[C@H]1C(=O)CN
InChIInChI=1S/C11H20N2O/c1-4-5-8-7-13-11(2,3)10(8)9(14)6-12/h4,8,10,13H,1,5-7,12H2,2-3H3/t8-,10-/m1/s1
InChIKeyRUFJSYBNQPQPRA-PSASIEDQSA-N
MW196.29 g/mol
LogP0.70
Rot. Bonds4

About 2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone

2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone (PubChem CID 141270619) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone
PubChem CID141270619
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone
SMILESC=CC[C@@H]1CNC(C)(C)[C@H]1C(=O)CN
InChIInChI=1S/C11H20N2O/c1-4-5-8-7-13-11(2,3)10(8)9(14)6-12/h4,8,10,13H,1,5-7,12H2,2-3H3/t8-,10-/m1/s1
InChIKeyRUFJSYBNQPQPRA-PSASIEDQSA-N
XLogP0.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Pyrrolidin-3-yl)pent-4-en-1-one
CID 68234182
1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone
CID 70337882
1-(4-Ethenyl-3-methylpyrrolidin-2-yl)ethanone
CID 123502927
1-[(2S,3R,4R)-4-amino-3-prop-2-enylpyrrolidin-2-yl]ethanone
CID 139497940
2-diazo-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone
CID 141270617
1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one
CID 141320383
Ethane;1-(2-ethenylpyrrolidin-3-yl)-2-(methylamino)ethanone
CID 142187816
ethane;1-[(2R)-2-ethenylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 143339665
(3S,4R)-N-tert-butyl-3-methyl-4-prop-2-enylpyrrolidine-3-carboxamide
CID 147944552
(4R)-N-tert-butyl-3-methyl-4-prop-2-enylpyrrolidine-3-carboxamide
CID 147944553
N-methyl-N-[(3R,4S)-3-propanoyl-4-prop-2-enylpyrrolidin-3-yl]acetamide
CID 152933950
1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone
CID 156858438

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone?
The IUPAC name of 2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone (CID 141270619) is 2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone is C=CC[C@@H]1CNC(C)(C)[C@H]1C(=O)CN.
What is the InChIKey of 2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone?
The InChIKey is RUFJSYBNQPQPRA-PSASIEDQSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-8-7-13-11(2,3)10(8)9(14)6-12/h4,8,10,13H,1,5-7,12H2,2-3H3/t8-,10-/m1/s1.
What are the key properties of 2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone?
2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone has a molecular weight of 196.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3S,4S)-2,2-dimethyl-4-prop-2-enylpyrrolidin-3-yl]ethanone is sourced from PubChem (CID 141270619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).