2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H26N2O4 — CID 70739646

IUPAC2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1coc(CN2CCCC3(CCC(=O)N(C4CC4)C3)C2)cc1=O
InChIInChI=1S/C19H26N2O4/c1-24-17-11-25-15(9-16(17)22)10-20-8-2-6-19(12-20)7-5-18(23)21(13-19)14-3-4-14/h9,11,14H,2-8,10,12-13H2,1H3
InChIKeyYGMVWQLXWQYZLG-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.02
Rot. Bonds4

About 2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70739646) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70739646
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1coc(CN2CCCC3(CCC(=O)N(C4CC4)C3)C2)cc1=O
InChIInChI=1S/C19H26N2O4/c1-24-17-11-25-15(9-16(17)22)10-20-8-2-6-19(12-20)7-5-18(23)21(13-19)14-3-4-14/h9,11,14H,2-8,10,12-13H2,1H3
InChIKeyYGMVWQLXWQYZLG-UHFFFAOYSA-N
XLogP2.02
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70739646) is 2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is COc1coc(CN2CCCC3(CCC(=O)N(C4CC4)C3)C2)cc1=O.
What is the InChIKey of 2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YGMVWQLXWQYZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-24-17-11-25-15(9-16(17)22)10-20-8-2-6-19(12-20)7-5-18(23)21(13-19)14-3-4-14/h9,11,14H,2-8,10,12-13H2,1H3.
What are the key properties of 2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70739646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).