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

C19H24N2O4 — CID 72851046

IUPAC2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)o1
InChIInChI=1S/C19H24N2O4/c1-13-10-15(22)11-16(25-13)18(24)20-8-6-19(7-9-20)5-4-17(23)21(12-19)14-2-3-14/h10-11,14H,2-9,12H2,1H3
InChIKeyPEYXVFYUFHBAJN-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.96
Rot. Bonds2

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

2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72851046) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72851046
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)o1
InChIInChI=1S/C19H24N2O4/c1-13-10-15(22)11-16(25-13)18(24)20-8-6-19(7-9-20)5-4-17(23)21(12-19)14-2-3-14/h10-11,14H,2-9,12H2,1H3
InChIKeyPEYXVFYUFHBAJN-UHFFFAOYSA-N
XLogP1.96
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72851046) is 2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(=O)cc(C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)o1.
What is the InChIKey of 2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PEYXVFYUFHBAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-10-15(22)11-16(25-13)18(24)20-8-6-19(7-9-20)5-4-17(23)21(12-19)14-2-3-14/h10-11,14H,2-9,12H2,1H3.
What are the key properties of 2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.41 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-(6-methyl-4-oxopyran-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72851046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).