2-amino-1-pyrrolidin-1-ylethanone

C6H12N2O — CID 11205761

IUPAC2-amino-1-pyrrolidin-1-ylethanone
SMILESNCC(=O)N1CCCC1
InChIInChI=1S/C6H12N2O/c7-5-6(9)8-3-1-2-4-8/h1-5,7H2
InChIKeySJNAQBNIUKINQH-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.43
Rot. Bonds1

About 2-amino-1-pyrrolidin-1-ylethanone

2-amino-1-pyrrolidin-1-ylethanone (PubChem CID 11205761) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-amino-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-amino-1-pyrrolidin-1-ylethanone
PubChem CID11205761
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-amino-1-pyrrolidin-1-ylethanone
SMILESNCC(=O)N1CCCC1
InChIInChI=1S/C6H12N2O/c7-5-6(9)8-3-1-2-4-8/h1-5,7H2
InChIKeySJNAQBNIUKINQH-UHFFFAOYSA-N
XLogP-0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Aminoethyl)pyrrolidin-2-one
CID 90660
(R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid
CID 10607286
(2S)-2-amino-1-pyrrolidin-1-ylpropan-1-one
CID 11389441
2-(Methylamino)-1-(pyrrolidin-1-yl)ethanone
CID 7131536
2-Pyrrolidinone, 1-(2-aminoethyl)-, monohydrochloride
CID 3022039
2-Amino-N-methyl-N-(4-(1-pyrrolidinyl)-2-butyn-1-yl)acetamide
CID 577938
1-Pyrrolidineacetamide
CID 13475825
1-(3-Aminopyrrolidin-1-yl)ethan-1-one
CID 11217265
2-Amino-1-(pyrrolidin-1-yl)propan-1-one hydrochloride
CID 19897326
2-Amino-1-(pyrrolidin-1-yl)ethan-1-one hydrochloride
CID 21949208
(2S)-2-amino-1-(pyrrolidin-1-yl)propan-1-one hydrochloride
CID 22844332
2-(Methylamino)-1-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)
CID 44631040

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-amino-1-pyrrolidin-1-ylethanone (CID 11205761) is 2-amino-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-amino-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-amino-1-pyrrolidin-1-ylethanone is NCC(=O)N1CCCC1.
What is the InChIKey of 2-amino-1-pyrrolidin-1-ylethanone?
The InChIKey is SJNAQBNIUKINQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c7-5-6(9)8-3-1-2-4-8/h1-5,7H2.
What are the key properties of 2-amino-1-pyrrolidin-1-ylethanone?
2-amino-1-pyrrolidin-1-ylethanone has a molecular weight of 128.17 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 11205761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).