1-[(1E)-cycloocten-1-yl]aziridine

C10H17N — CID 12703122

IUPAC1-[(1E)-cycloocten-1-yl]aziridine
SMILESC1=C(/N2CC2)CCCCCC/1
InChIInChI=1S/C10H17N/c1-2-4-6-10(7-5-3-1)11-8-9-11/h6H,1-5,7-9H2/b10-6+
InChIKeyNFEOIUIKKNZRNN-UXBLZVDNSA-N
MW151.25 g/mol
LogP2.54
Rot. Bonds1

About 1-[(1E)-cycloocten-1-yl]aziridine

1-[(1E)-cycloocten-1-yl]aziridine (PubChem CID 12703122) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]aziridine.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]aziridine
PubChem CID12703122
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-[(1E)-cycloocten-1-yl]aziridine
SMILESC1=C(/N2CC2)CCCCCC/1
InChIInChI=1S/C10H17N/c1-2-4-6-10(7-5-3-1)11-8-9-11/h6H,1-5,7-9H2/b10-6+
InChIKeyNFEOIUIKKNZRNN-UXBLZVDNSA-N
XLogP2.54
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.54
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 1-[(1E)-cycloocten-1-yl]aziridine?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]aziridine (CID 12703122) is 1-[(1E)-cycloocten-1-yl]aziridine.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]aziridine?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]aziridine is C1=C(/N2CC2)CCCCCC/1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]aziridine?
The InChIKey is NFEOIUIKKNZRNN-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H17N/c1-2-4-6-10(7-5-3-1)11-8-9-11/h6H,1-5,7-9H2/b10-6+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]aziridine?
1-[(1E)-cycloocten-1-yl]aziridine has a molecular weight of 151.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]aziridine is sourced from PubChem (CID 12703122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).