(2S)-N,N,2-trimethylaziridine-1-carboxamide

C6H12N2O — CID 86306658

IUPAC(2S)-N,N,2-trimethylaziridine-1-carboxamide
SMILESC[C@H]1CN1C(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-5-4-8(5)6(9)7(2)3/h5H,4H2,1-3H3/t5-,8?/m0/s1
InChIKeyVGGNVBNNVSIGKG-NTFOPCPOSA-N
MW128.17 g/mol
LogP0.37
Rot. Bonds

About (2S)-N,N,2-trimethylaziridine-1-carboxamide

(2S)-N,N,2-trimethylaziridine-1-carboxamide (PubChem CID 86306658) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (2S)-N,N,2-trimethylaziridine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N,N,2-trimethylaziridine-1-carboxamide
PubChem CID86306658
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(2S)-N,N,2-trimethylaziridine-1-carboxamide
SMILESC[C@H]1CN1C(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-5-4-8(5)6(9)7(2)3/h5H,4H2,1-3H3/t5-,8?/m0/s1
InChIKeyVGGNVBNNVSIGKG-NTFOPCPOSA-N
XLogP0.37
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,2-trimethylaziridine-1-carboxamide?
The IUPAC name of (2S)-N,N,2-trimethylaziridine-1-carboxamide (CID 86306658) is (2S)-N,N,2-trimethylaziridine-1-carboxamide.
What is the SMILES notation for (2S)-N,N,2-trimethylaziridine-1-carboxamide?
The canonical SMILES for (2S)-N,N,2-trimethylaziridine-1-carboxamide is C[C@H]1CN1C(=O)N(C)C.
What is the InChIKey of (2S)-N,N,2-trimethylaziridine-1-carboxamide?
The InChIKey is VGGNVBNNVSIGKG-NTFOPCPOSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-4-8(5)6(9)7(2)3/h5H,4H2,1-3H3/t5-,8?/m0/s1.
What are the key properties of (2S)-N,N,2-trimethylaziridine-1-carboxamide?
(2S)-N,N,2-trimethylaziridine-1-carboxamide has a molecular weight of 128.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,2-trimethylaziridine-1-carboxamide is sourced from PubChem (CID 86306658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).