1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one

C10H20N2O2 — CID 165440296

IUPAC1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESCCNC1CCN(C(=O)CCOC)C1
InChIInChI=1S/C10H20N2O2/c1-3-11-9-4-6-12(8-9)10(13)5-7-14-2/h9,11H,3-8H2,1-2H3
InChIKeyWDCSMVYMAGTJSQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds5

About 1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one

1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one (PubChem CID 165440296) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
PubChem CID165440296
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
SMILESCCNC1CCN(C(=O)CCOC)C1
InChIInChI=1S/C10H20N2O2/c1-3-11-9-4-6-12(8-9)10(13)5-7-14-2/h9,11H,3-8H2,1-2H3
InChIKeyWDCSMVYMAGTJSQ-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen
CID 177317699
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
CID 75436334
butyl 3-(ethylamino)pyrrolidine-1-carboxylate
CID 69158445
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methoxypropan-1-one
CID 81483633
2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108566430
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
4-ethoxy-1-[3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 81466362
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437
tert-butyl N-[(3S)-1-(4-methoxybutanoyl)pyrrolidin-3-yl]carbamate
CID 171063625

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one (CID 165440296) is 1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one is CCNC1CCN(C(=O)CCOC)C1.
What is the InChIKey of 1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is WDCSMVYMAGTJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-11-9-4-6-12(8-9)10(13)5-7-14-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one?
1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 165440296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).