2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one

C8H16N2O — CID 115012177

IUPAC2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one
SMILESCC(N)C(=O)C1CCCN1C
InChIInChI=1S/C8H16N2O/c1-6(9)8(11)7-4-3-5-10(7)2/h6-7H,3-5,9H2,1-2H3
InChIKeyVLYJXFSSDWJVPM-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.00
Rot. Bonds2

About 2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one

2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one (PubChem CID 115012177) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one
PubChem CID115012177
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one
SMILESCC(N)C(=O)C1CCCN1C
InChIInChI=1S/C8H16N2O/c1-6(9)8(11)7-4-3-5-10(7)2/h6-7H,3-5,9H2,1-2H3
InChIKeyVLYJXFSSDWJVPM-UHFFFAOYSA-N
XLogP-0.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151
potassium (2S)-1-methylpyrrolidine-2-carboxylate
CID 169244754
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
methane;1-(1-methylpyrrolidin-2-yl)propan-1-one
CID 159643972
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
ethane;1-methylpiperidine-2-carboxamide
CID 143592848

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one?
The IUPAC name of 2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one (CID 115012177) is 2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one is CC(N)C(=O)C1CCCN1C.
What is the InChIKey of 2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one?
The InChIKey is VLYJXFSSDWJVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(9)8(11)7-4-3-5-10(7)2/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one?
2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one has a molecular weight of 156.23 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methylpyrrolidin-2-yl)propan-1-one is sourced from PubChem (CID 115012177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).