3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one

C11H22N2O — CID 58143490

IUPAC3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one
SMILESCC(=O)C(CC1CCCN1C)N(C)C
InChIInChI=1S/C11H22N2O/c1-9(14)11(12(2)3)8-10-6-5-7-13(10)4/h10-11H,5-8H2,1-4H3
InChIKeyFVJFWGYGFYVHPI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.99
Rot. Bonds4

About 3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one

3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one (PubChem CID 58143490) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one
PubChem CID58143490
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one
SMILESCC(=O)C(CC1CCCN1C)N(C)C
InChIInChI=1S/C11H22N2O/c1-9(14)11(12(2)3)8-10-6-5-7-13(10)4/h10-11H,5-8H2,1-4H3
InChIKeyFVJFWGYGFYVHPI-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
CID 83668031
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
(2R)-3-(1-methylpyrrolidin-2-yl)propane-1,2-diol
CID 142317689
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
1-[(5R)-1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]propan-2-one
CID 91751199
2-(butan-2-ylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79314481
(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 79314315

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one?
The IUPAC name of 3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one (CID 58143490) is 3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one.
What is the SMILES notation for 3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one?
The canonical SMILES for 3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one is CC(=O)C(CC1CCCN1C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one?
The InChIKey is FVJFWGYGFYVHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(14)11(12(2)3)8-10-6-5-7-13(10)4/h10-11H,5-8H2,1-4H3.
What are the key properties of 3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one?
3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one has a molecular weight of 198.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-(1-methylpyrrolidin-2-yl)butan-2-one is sourced from PubChem (CID 58143490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).