3-amino-1-(aziridin-1-yl)propan-1-one

C5H10N2O — CID 87106938

IUPAC3-amino-1-(aziridin-1-yl)propan-1-one
SMILESNCCC(=O)N1CC1
InChIInChI=1S/C5H10N2O/c6-2-1-5(8)7-3-4-7/h1-4,6H2
InChIKeyHMDWTFTZFWSRDE-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.82
Rot. Bonds2

About 3-amino-1-(aziridin-1-yl)propan-1-one

3-amino-1-(aziridin-1-yl)propan-1-one (PubChem CID 87106938) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-amino-1-(aziridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(aziridin-1-yl)propan-1-one
PubChem CID87106938
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-amino-1-(aziridin-1-yl)propan-1-one
SMILESNCCC(=O)N1CC1
InChIInChI=1S/C5H10N2O/c6-2-1-5(8)7-3-4-7/h1-4,6H2
InChIKeyHMDWTFTZFWSRDE-UHFFFAOYSA-N
XLogP-0.82
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropanoyl)piperazine-1-carboxamide
CID 2756537
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
CID 62937582
3-amino-1-[4-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 121200922
N'-(2-aminoethyl)ethane-1,2-diamine;1,6-bis(aziridin-1-yl)hexane-1,6-dione
CID 175369374
4-(4-aminobutanoyl)piperazine-1-carboxylic acid
CID 122623364
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
3-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868649
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one
CID 83634844
3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 53409663

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(aziridin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(aziridin-1-yl)propan-1-one (CID 87106938) is 3-amino-1-(aziridin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(aziridin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(aziridin-1-yl)propan-1-one is NCCC(=O)N1CC1.
What is the InChIKey of 3-amino-1-(aziridin-1-yl)propan-1-one?
The InChIKey is HMDWTFTZFWSRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c6-2-1-5(8)7-3-4-7/h1-4,6H2.
What are the key properties of 3-amino-1-(aziridin-1-yl)propan-1-one?
3-amino-1-(aziridin-1-yl)propan-1-one has a molecular weight of 114.15 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(aziridin-1-yl)propan-1-one is sourced from PubChem (CID 87106938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).