ethyl 2-pentylaziridine-1-carboxylate

C10H19NO2 — CID 86053424

IUPACethyl 2-pentylaziridine-1-carboxylate
SMILESCCCCCC1CN1C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-3-5-6-7-9-8-11(9)10(12)13-4-2/h9H,3-8H2,1-2H3
InChIKeyRETXSQHXGRDJPE-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.41
Rot. Bonds5

About ethyl 2-pentylaziridine-1-carboxylate

ethyl 2-pentylaziridine-1-carboxylate (PubChem CID 86053424) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-pentylaziridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-pentylaziridine-1-carboxylate
PubChem CID86053424
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-pentylaziridine-1-carboxylate
SMILESCCCCCC1CN1C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-3-5-6-7-9-8-11(9)10(12)13-4-2/h9H,3-8H2,1-2H3
InChIKeyRETXSQHXGRDJPE-UHFFFAOYSA-N
XLogP2.41
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-decylaziridine-1-carboxamide
CID 175486597
1-(2-dodecylaziridin-1-yl)prop-2-en-1-one
CID 175146635
ethyl 2-amino-4-pentylpiperidine-1-carboxylate
CID 70618128
ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
2-(2-butyl-1-ethoxycarbonylpiperidin-4-yl)acetic acid
CID 70272502
tert-butyl (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221
tert-butyl 2-(5-chloropentyl)aziridine-1-carboxylate
CID 135078235
methyl 2-dodecylpyrrolidine-1-carboxylate
CID 175232905
ethyl (7R,9S)-9-methyl-7-octyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate
CID 71614430
ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate
CID 68572704
tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate
CID 171557754
tert-butyl (2R,5R)-2-ethyl-5-heptylpyrrolidine-1-carboxylate
CID 10902578

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pentylaziridine-1-carboxylate?
The IUPAC name of ethyl 2-pentylaziridine-1-carboxylate (CID 86053424) is ethyl 2-pentylaziridine-1-carboxylate.
What is the SMILES notation for ethyl 2-pentylaziridine-1-carboxylate?
The canonical SMILES for ethyl 2-pentylaziridine-1-carboxylate is CCCCCC1CN1C(=O)OCC.
What is the InChIKey of ethyl 2-pentylaziridine-1-carboxylate?
The InChIKey is RETXSQHXGRDJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-6-7-9-8-11(9)10(12)13-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-pentylaziridine-1-carboxylate?
ethyl 2-pentylaziridine-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pentylaziridine-1-carboxylate is sourced from PubChem (CID 86053424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).