5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

C7H12N2O — CID 163896989

IUPAC5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC1OC2CC1N(C1CN1)C2
InChIInChI=1S/C7H12N2O/c1-5-4-10-6(1)3-9(5)7-2-8-7/h5-8H,1-4H2
InChIKeyQGNAPTCXZMQDGZ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.61
Rot. Bonds1

About 5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 163896989) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID163896989
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC1OC2CC1N(C1CN1)C2
InChIInChI=1S/C7H12N2O/c1-5-4-10-6(1)3-9(5)7-2-8-7/h5-8H,1-4H2
InChIKeyQGNAPTCXZMQDGZ-UHFFFAOYSA-N
XLogP-0.61
TPSA34.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
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 5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 163896989) is 5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is C1OC2CC1N(C1CN1)C2.
What is the InChIKey of 5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is QGNAPTCXZMQDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-4-10-6(1)3-9(5)7-2-8-7/h5-8H,1-4H2.
What are the key properties of 5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 140.19 g/mol, XLogP of -0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aziridin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 163896989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).