1-(3-amino-4-methylpyrrolidin-1-yl)ethanone

C7H14N2O — CID 82594406

IUPAC1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CC(C)C(N)C1
InChIInChI=1S/C7H14N2O/c1-5-3-9(6(2)10)4-7(5)8/h5,7H,3-4,8H2,1-2H3
InChIKeyRJKMRTQONQVGHJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.19
Rot. Bonds

About 1-(3-amino-4-methylpyrrolidin-1-yl)ethanone

1-(3-amino-4-methylpyrrolidin-1-yl)ethanone (PubChem CID 82594406) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(3-amino-4-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
PubChem CID82594406
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CC(C)C(N)C1
InChIInChI=1S/C7H14N2O/c1-5-3-9(6(2)10)4-7(5)8/h5,7H,3-4,8H2,1-2H3
InChIKeyRJKMRTQONQVGHJ-UHFFFAOYSA-N
XLogP-0.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
1-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
CID 130768808
1-[3-amino-4-(bromomethyl)pyrrolidin-1-yl]ethanone
CID 130952262
1-(3-amino-4-methylpyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 130934837
1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone
CID 156736539
3-amino-4-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 103576202
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclohexylethanone
CID 103576127
(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 103575749
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
1-acetyl-4-methylpyrrolidine-3-carbonitrile
CID 155356325

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)ethanone (CID 82594406) is 1-(3-amino-4-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-amino-4-methylpyrrolidin-1-yl)ethanone is CC(=O)N1CC(C)C(N)C1.
What is the InChIKey of 1-(3-amino-4-methylpyrrolidin-1-yl)ethanone?
The InChIKey is RJKMRTQONQVGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-3-9(6(2)10)4-7(5)8/h5,7H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-amino-4-methylpyrrolidin-1-yl)ethanone?
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone has a molecular weight of 142.20 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 82594406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).