3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one

C10H20N2O — CID 176992533

IUPAC3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(CN(C)C)C(=O)N1
InChIInChI=1S/C10H20N2O/c1-7(2)9-5-8(6-12(3)4)10(13)11-9/h7-9H,5-6H2,1-4H3,(H,11,13)
InChIKeyYMEWXNBBCNYZPL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.71
Rot. Bonds3

About 3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one

3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one (PubChem CID 176992533) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one
PubChem CID176992533
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(CN(C)C)C(=O)N1
InChIInChI=1S/C10H20N2O/c1-7(2)9-5-8(6-12(3)4)10(13)11-9/h7-9H,5-6H2,1-4H3,(H,11,13)
InChIKeyYMEWXNBBCNYZPL-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane
CID 157418775
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one
CID 170015577
2-[(dimethylamino)methyl]-4-(2-methylpropoxy)cyclohexan-1-one
CID 18980501
4-[(dimethylamino)methyl]oxolane-2,3-dione
CID 2801657
cis-(2R,4S)-4-tert-butyl-2-[(dimethylamino)methyl]cyclohexan-1-one
CID 1249355
(3S,6S)-6-amino-3-propan-2-yl-1,4-oxazocan-5-one
CID 131123001
5-[(dimethylamino)methyl]-2-methyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 45097061
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
(5S,8R)-8-[(4-chlorophenyl)methyl]-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
CID 71759955
(2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal
CID 175610759
(3aR,5S,7aS)-5-[(dimethylamino)methyl]-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
CID 129322188

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one (CID 176992533) is 3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(CN(C)C)C(=O)N1.
What is the InChIKey of 3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is YMEWXNBBCNYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)9-5-8(6-12(3)4)10(13)11-9/h7-9H,5-6H2,1-4H3,(H,11,13).
What are the key properties of 3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one?
3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 176992533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).