aziridine;aziridine-1-carboxamide

C5H11N3O — CID 157196797

IUPACaziridine;aziridine-1-carboxamide
SMILESC1CN1.NC(=O)N1CC1
InChIInChI=1S/C3H6N2O.C2H5N/c4-3(6)5-1-2-5;1-2-3-1/h1-2H2,(H2,4,6);3H,1-2H2
InChIKeyAQIMCKMINCBYBE-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.03
Rot. Bonds

About aziridine;aziridine-1-carboxamide

aziridine;aziridine-1-carboxamide (PubChem CID 157196797) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is aziridine;aziridine-1-carboxamide.

Molecular Properties

Compound Nameaziridine;aziridine-1-carboxamide
PubChem CID157196797
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Nameaziridine;aziridine-1-carboxamide
SMILESC1CN1.NC(=O)N1CC1
InChIInChI=1S/C3H6N2O.C2H5N/c4-3(6)5-1-2-5;1-2-3-1/h1-2H2,(H2,4,6);3H,1-2H2
InChIKeyAQIMCKMINCBYBE-UHFFFAOYSA-N
XLogP-1.03
TPSA68.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
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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ethane;pyrrolidine-1-carboxamide
CID 144643607
lithium;hydride;pyrrolidine-1-carboxamide
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methanethiol;pyrrolidine-1-carboxamide
CID 155736349
ethane;piperidine-1-carboxamide
CID 176963561
4-(3-aminopropanoyl)piperazine-1-carboxamide
CID 2756537
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
4-cyclopentylpiperazine-1-carboxamide
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4-propylpiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of aziridine;aziridine-1-carboxamide?
The IUPAC name of aziridine;aziridine-1-carboxamide (CID 157196797) is aziridine;aziridine-1-carboxamide.
What is the SMILES notation for aziridine;aziridine-1-carboxamide?
The canonical SMILES for aziridine;aziridine-1-carboxamide is C1CN1.NC(=O)N1CC1.
What is the InChIKey of aziridine;aziridine-1-carboxamide?
The InChIKey is AQIMCKMINCBYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O.C2H5N/c4-3(6)5-1-2-5;1-2-3-1/h1-2H2,(H2,4,6);3H,1-2H2.
What are the key properties of aziridine;aziridine-1-carboxamide?
aziridine;aziridine-1-carboxamide has a molecular weight of 129.16 g/mol, XLogP of -1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine;aziridine-1-carboxamide is sourced from PubChem (CID 157196797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).