2,2-dimethylaziridine-1-carboxamide;ethane

C9H22N2O — CID 143378002

IUPAC2,2-dimethylaziridine-1-carboxamide;ethane
SMILESCC.CC.CC1(C)CN1C(N)=O
InChIInChI=1S/C5H10N2O.2C2H6/c1-5(2)3-7(5)4(6)8;2*1-2/h3H2,1-2H3,(H2,6,8);2*1-2H3
InChIKeyAGJXUOBRIIMZLN-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.21
Rot. Bonds

About 2,2-dimethylaziridine-1-carboxamide;ethane

2,2-dimethylaziridine-1-carboxamide;ethane (PubChem CID 143378002) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2,2-dimethylaziridine-1-carboxamide;ethane.

Molecular Properties

Compound Name2,2-dimethylaziridine-1-carboxamide;ethane
PubChem CID143378002
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2,2-dimethylaziridine-1-carboxamide;ethane
SMILESCC.CC.CC1(C)CN1C(N)=O
InChIInChI=1S/C5H10N2O.2C2H6/c1-5(2)3-7(5)4(6)8;2*1-2/h3H2,1-2H3,(H2,6,8);2*1-2H3
InChIKeyAGJXUOBRIIMZLN-UHFFFAOYSA-N
XLogP2.21
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 118691244
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CID 45084187
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CID 17764762
CID 17764762
CID 21584147
CID 21584147
CID 21799515
CID 21799515
CID 57055222
CID 57055222
CID 88259317
CID 88259317
CID 88269736
CID 88269736
CID 89206895
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CID 89311461
CID 89311461

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylaziridine-1-carboxamide;ethane?
The IUPAC name of 2,2-dimethylaziridine-1-carboxamide;ethane (CID 143378002) is 2,2-dimethylaziridine-1-carboxamide;ethane.
What is the SMILES notation for 2,2-dimethylaziridine-1-carboxamide;ethane?
The canonical SMILES for 2,2-dimethylaziridine-1-carboxamide;ethane is CC.CC.CC1(C)CN1C(N)=O.
What is the InChIKey of 2,2-dimethylaziridine-1-carboxamide;ethane?
The InChIKey is AGJXUOBRIIMZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.2C2H6/c1-5(2)3-7(5)4(6)8;2*1-2/h3H2,1-2H3,(H2,6,8);2*1-2H3.
What are the key properties of 2,2-dimethylaziridine-1-carboxamide;ethane?
2,2-dimethylaziridine-1-carboxamide;ethane has a molecular weight of 174.29 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylaziridine-1-carboxamide;ethane is sourced from PubChem (CID 143378002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).