ethyl 1-cyclopentylaziridine-2-carboxylate

C10H17NO2 — CID 117009956

IUPACethyl 1-cyclopentylaziridine-2-carboxylate
SMILESCCOC(=O)C1CN1C1CCCC1
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)9-7-11(9)8-5-3-4-6-8/h8-9H,2-7H2,1H3
InChIKeyVGUBRYGGOMGMII-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.18
Rot. Bonds3

About ethyl 1-cyclopentylaziridine-2-carboxylate

ethyl 1-cyclopentylaziridine-2-carboxylate (PubChem CID 117009956) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 1-cyclopentylaziridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopentylaziridine-2-carboxylate
PubChem CID117009956
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 1-cyclopentylaziridine-2-carboxylate
SMILESCCOC(=O)C1CN1C1CCCC1
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)9-7-11(9)8-5-3-4-6-8/h8-9H,2-7H2,1H3
InChIKeyVGUBRYGGOMGMII-UHFFFAOYSA-N
XLogP1.18
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 1-cyclopentylaziridine-2-carboxylate?
The IUPAC name of ethyl 1-cyclopentylaziridine-2-carboxylate (CID 117009956) is ethyl 1-cyclopentylaziridine-2-carboxylate.
What is the SMILES notation for ethyl 1-cyclopentylaziridine-2-carboxylate?
The canonical SMILES for ethyl 1-cyclopentylaziridine-2-carboxylate is CCOC(=O)C1CN1C1CCCC1.
What is the InChIKey of ethyl 1-cyclopentylaziridine-2-carboxylate?
The InChIKey is VGUBRYGGOMGMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-10(12)9-7-11(9)8-5-3-4-6-8/h8-9H,2-7H2,1H3.
What are the key properties of ethyl 1-cyclopentylaziridine-2-carboxylate?
ethyl 1-cyclopentylaziridine-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopentylaziridine-2-carboxylate is sourced from PubChem (CID 117009956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).