4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine

C10H19N5O — CID 63171226

IUPAC4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine
SMILES[N-]=[N+]=NCCN1CCC(N2CCOCC2)C1
InChIInChI=1S/C10H19N5O/c11-13-12-2-4-14-3-1-10(9-14)15-5-7-16-8-6-15/h10H,1-9H2
InChIKeyMRFFNEREYHRUPS-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.70
Rot. Bonds4

About 4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine

4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine (PubChem CID 63171226) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine
PubChem CID63171226
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine
SMILES[N-]=[N+]=NCCN1CCC(N2CCOCC2)C1
InChIInChI=1S/C10H19N5O/c11-13-12-2-4-14-3-1-10(9-14)15-5-7-16-8-6-15/h10H,1-9H2
InChIKeyMRFFNEREYHRUPS-UHFFFAOYSA-N
XLogP0.70
TPSA64.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine (CID 63171226) is 4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine is [N-]=[N+]=NCCN1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine?
The InChIKey is MRFFNEREYHRUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c11-13-12-2-4-14-3-1-10(9-14)15-5-7-16-8-6-15/h10H,1-9H2.
What are the key properties of 4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine?
4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine has a molecular weight of 225.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 63171226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).