3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one

C10H20N2O — CID 59009682

IUPAC3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN1C(=O)CCN(C)C
InChIInChI=1S/C10H20N2O/c1-9-5-4-7-12(9)10(13)6-8-11(2)3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyCTDQEUBWUJVUJG-VIFPVBQESA-N
MW184.28 g/mol
LogP0.95
Rot. Bonds3

About 3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one

3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one (PubChem CID 59009682) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one
PubChem CID59009682
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one
SMILESC[C@H]1CCCN1C(=O)CCN(C)C
InChIInChI=1S/C10H20N2O/c1-9-5-4-7-12(9)10(13)6-8-11(2)3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyCTDQEUBWUJVUJG-VIFPVBQESA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one (CID 59009682) is 3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one is C[C@H]1CCCN1C(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one?
The InChIKey is CTDQEUBWUJVUJG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O/c1-9-5-4-7-12(9)10(13)6-8-11(2)3/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one?
3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[(2S)-2-methylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 59009682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).