1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane

C12H26N2O2 — CID 166119423

IUPAC1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
SMILESCC.CC.CC(=O)C1CCCN1C(=O)CN
InChIInChI=1S/C8H14N2O2.2C2H6/c1-6(11)7-3-2-4-10(7)8(12)5-9;2*1-2/h7H,2-5,9H2,1H3;2*1-2H3
InChIKeyFFLVMWYPFZOJHK-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.58
Rot. Bonds2

About 1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane

1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane (PubChem CID 166119423) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane.

Molecular Properties

Compound Name1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
PubChem CID166119423
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
SMILESCC.CC.CC(=O)C1CCCN1C(=O)CN
InChIInChI=1S/C8H14N2O2.2C2H6/c1-6(11)7-3-2-4-10(7)8(12)5-9;2*1-2/h7H,2-5,9H2,1H3;2*1-2H3
InChIKeyFFLVMWYPFZOJHK-UHFFFAOYSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
tert-butyl (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 57383535
tert-butyl 1-(2-aminoacetyl)pyrrolidine-2-carboxylate;hydrochloride
CID 76532364
1-(2-aminoacetyl)-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305869
N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
CID 171566777
1-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid
CID 22888721

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane?
The IUPAC name of 1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane (CID 166119423) is 1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane.
What is the SMILES notation for 1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane?
The canonical SMILES for 1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane is CC.CC.CC(=O)C1CCCN1C(=O)CN.
What is the InChIKey of 1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane?
The InChIKey is FFLVMWYPFZOJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.2C2H6/c1-6(11)7-3-2-4-10(7)8(12)5-9;2*1-2/h7H,2-5,9H2,1H3;2*1-2H3.
What are the key properties of 1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane?
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane has a molecular weight of 230.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane is sourced from PubChem (CID 166119423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).