1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one

C10H20N2O2 — CID 107507402

IUPAC1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-11(2)9-4-5-12(6-9)7-10(13)8-14-3/h9H,4-8H2,1-3H3
InChIKeyHHPNYPKBHDBJSZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.16
Rot. Bonds5

About 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one

1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one (PubChem CID 107507402) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
PubChem CID107507402
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)CN1CCC(N(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-11(2)9-4-5-12(6-9)7-10(13)8-14-3/h9H,4-8H2,1-3H3
InChIKeyHHPNYPKBHDBJSZ-UHFFFAOYSA-N
XLogP-0.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-one
CID 116593221
1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
CID 107507405
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131904290
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 175826880
1-(3-ethoxypiperidin-1-yl)-3-methoxypropan-2-one
CID 107507197
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 107507575
ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63164459
methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63165298
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507566
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 63163799

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one?
The IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one (CID 107507402) is 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one?
The canonical SMILES for 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one is COCC(=O)CN1CCC(N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one?
The InChIKey is HHPNYPKBHDBJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11(2)9-4-5-12(6-9)7-10(13)8-14-3/h9H,4-8H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one?
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one has a molecular weight of 200.28 g/mol, XLogP of -0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one is sourced from PubChem (CID 107507402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).