(2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone

C21H23FN2O3 — CID 164595822

IUPAC(2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone
SMILESCn1cc(C(=O)N2CCC3(CCOCC3)C2)cc1C(=O)c1ccccc1F
InChIInChI=1S/C21H23FN2O3/c1-23-13-15(12-18(23)19(25)16-4-2-3-5-17(16)22)20(26)24-9-6-21(14-24)7-10-27-11-8-21/h2-5,12-13H,6-11,14H2,1H3
InChIKeyMJBWIZDCRJVNLN-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.04
Rot. Bonds3

About (2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone

(2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone (PubChem CID 164595822) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is (2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone
PubChem CID164595822
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name(2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone
SMILESCn1cc(C(=O)N2CCC3(CCOCC3)C2)cc1C(=O)c1ccccc1F
InChIInChI=1S/C21H23FN2O3/c1-23-13-15(12-18(23)19(25)16-4-2-3-5-17(16)22)20(26)24-9-6-21(14-24)7-10-27-11-8-21/h2-5,12-13H,6-11,14H2,1H3
InChIKeyMJBWIZDCRJVNLN-UHFFFAOYSA-N
XLogP3.04
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone (CID 164595822) is (2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone is Cn1cc(C(=O)N2CCC3(CCOCC3)C2)cc1C(=O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone?
The InChIKey is MJBWIZDCRJVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-23-13-15(12-18(23)19(25)16-4-2-3-5-17(16)22)20(26)24-9-6-21(14-24)7-10-27-11-8-21/h2-5,12-13H,6-11,14H2,1H3.
What are the key properties of (2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone?
(2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone has a molecular weight of 370.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 164595822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).