9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one

C19H26N2O4 — CID 72866813

IUPAC9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(C(C)C)C3)CC2)o1
InChIInChI=1S/C19H26N2O4/c1-13(2)21-12-19(5-4-17(21)23)6-8-20(9-7-19)18(24)16-11-15(22)10-14(3)25-16/h10-11,13H,4-9,12H2,1-3H3
InChIKeyUKCFKUAJERVXRG-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.20
Rot. Bonds2

About 9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one

9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72866813) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72866813
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(C(C)C)C3)CC2)o1
InChIInChI=1S/C19H26N2O4/c1-13(2)21-12-19(5-4-17(21)23)6-8-20(9-7-19)18(24)16-11-15(22)10-14(3)25-16/h10-11,13H,4-9,12H2,1-3H3
InChIKeyUKCFKUAJERVXRG-UHFFFAOYSA-N
XLogP2.20
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one (CID 72866813) is 9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(C(C)C)C3)CC2)o1.
What is the InChIKey of 9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UKCFKUAJERVXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(2)21-12-19(5-4-17(21)23)6-8-20(9-7-19)18(24)16-11-15(22)10-14(3)25-16/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methyl-4-oxopyran-2-carbonyl)-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72866813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).