[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone

C20H27N3O3 — CID 97450634

About [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone

[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 97450634) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
• PubChem CID: 97450634
• Molecular Formula: C20H27N3O3
• Molecular Weight: 357.45 g/mol
• Exact Mass: 357.21
• IUPAC Name: [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
• SMILES: CN(Cc1ccco1)[C@@H]1COC2(CCN(C(=O)c3cccn3C)CC2)C1
• InChI: InChI=1S/C20H27N3O3/c1-21-9-3-6-18(21)19(24)23-10-7-20(8-11-23)13-16(15-26-20)22(2)14-17-5-4-12-25-17/h3-6,9,12,16H,7-8,10-11,13-15H2,1-2H3/t16-/m0/s1
• InChIKey: WDEKDIUILXUNNF-INIZCTEOSA-N
• XLogP: 2.51
• TPSA: 50.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.45
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?

The IUPAC name of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone (CID 97450634) is [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone.

What is the SMILES notation for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?

The canonical SMILES for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone is CN(Cc1ccco1)[C@@H]1COC2(CCN(C(=O)c3cccn3C)CC2)C1.

What is the InChIKey of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?

The InChIKey is WDEKDIUILXUNNF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-21-9-3-6-18(21)19(24)23-10-7-20(8-11-23)13-16(15-26-20)22(2)14-17-5-4-12-25-17/h3-6,9,12,16H,7-8,10-11,13-15H2,1-2H3/t16-/m0/s1.

What are the key properties of [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone?

[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 357.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 97450634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).