(5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene

C19H24FN3O2 — CID 100988971

About (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene

(5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene (PubChem CID 100988971) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene.

Molecular Properties

• Compound Name: (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene
• PubChem CID: 100988971
• Molecular Formula: C19H24FN3O2
• Molecular Weight: 345.42 g/mol
• Exact Mass: 345.19
• IUPAC Name: (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene
• SMILES: COC[C@@H]1CCCN1N1C(c2ccc(F)cc2)=NO[C@]12C=CCCC2
• InChI: InChI=1S/C19H24FN3O2/c1-24-14-17-6-5-13-22(17)23-18(15-7-9-16(20)10-8-15)21-25-19(23)11-3-2-4-12-19/h3,7-11,17H,2,4-6,12-14H2,1H3/t17-,19-/m0/s1
• InChIKey: WAEIJWICVWJHIE-HKUYNNGSSA-N
• XLogP: 3.28
• TPSA: 37.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.42
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene?

The IUPAC name of (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene (CID 100988971) is (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene.

What is the SMILES notation for (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene?

The canonical SMILES for (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene is COC[C@@H]1CCCN1N1C(c2ccc(F)cc2)=NO[C@]12C=CCCC2.

What is the InChIKey of (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene?

The InChIKey is WAEIJWICVWJHIE-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-24-14-17-6-5-13-22(17)23-18(15-7-9-16(20)10-8-15)21-25-19(23)11-3-2-4-12-19/h3,7-11,17H,2,4-6,12-14H2,1H3/t17-,19-/m0/s1.

What are the key properties of (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene?

(5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene has a molecular weight of 345.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-(4-fluorophenyl)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxa-2,4-diazaspiro[4.5]deca-2,6-diene is sourced from PubChem (CID 100988971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).