1,2-dimethylaziridine;propanoic acid

C7H15NO2 — CID 175486579

IUPAC1,2-dimethylaziridine;propanoic acid
SMILESCC1CN1C.CCC(=O)O
InChIInChI=1S/C4H9N.C3H6O2/c1-4-3-5(4)2;1-2-3(4)5/h4H,3H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyRWZFXWVZSNDGJQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.80
Rot. Bonds1

About 1,2-dimethylaziridine;propanoic acid

1,2-dimethylaziridine;propanoic acid (PubChem CID 175486579) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1,2-dimethylaziridine;propanoic acid.

Molecular Properties

Compound Name1,2-dimethylaziridine;propanoic acid
PubChem CID175486579
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1,2-dimethylaziridine;propanoic acid
SMILESCC1CN1C.CCC(=O)O
InChIInChI=1S/C4H9N.C3H6O2/c1-4-3-5(4)2;1-2-3(4)5/h4H,3H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyRWZFXWVZSNDGJQ-UHFFFAOYSA-N
XLogP0.80
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.80
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

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alumane;propanoic acid
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nickel;propanoic acid
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propanoic acid;dihydrochloride
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propanoic acid;dihydrofluoride
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propanoic acid;zirconium
CID 88666887
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CID 140795083

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylaziridine;propanoic acid?
The IUPAC name of 1,2-dimethylaziridine;propanoic acid (CID 175486579) is 1,2-dimethylaziridine;propanoic acid.
What is the SMILES notation for 1,2-dimethylaziridine;propanoic acid?
The canonical SMILES for 1,2-dimethylaziridine;propanoic acid is CC1CN1C.CCC(=O)O.
What is the InChIKey of 1,2-dimethylaziridine;propanoic acid?
The InChIKey is RWZFXWVZSNDGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H6O2/c1-4-3-5(4)2;1-2-3(4)5/h4H,3H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of 1,2-dimethylaziridine;propanoic acid?
1,2-dimethylaziridine;propanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylaziridine;propanoic acid is sourced from PubChem (CID 175486579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).