1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one

C12H22N2O2 — CID 146394634

IUPAC1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
SMILESCC(C)N1CCC2(CC1)COCC(=O)N2C
InChIInChI=1S/C12H22N2O2/c1-10(2)14-6-4-12(5-7-14)9-16-8-11(15)13(12)3/h10H,4-9H2,1-3H3
InChIKeyMRFUBKAOGZXVRD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.72
Rot. Bonds1

About 1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one

1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 146394634) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID146394634
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
SMILESCC(C)N1CCC2(CC1)COCC(=O)N2C
InChIInChI=1S/C12H22N2O2/c1-10(2)14-6-4-12(5-7-14)9-16-8-11(15)13(12)3/h10H,4-9H2,1-3H3
InChIKeyMRFUBKAOGZXVRD-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one (CID 146394634) is 1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one is CC(C)N1CCC2(CC1)COCC(=O)N2C.
What is the InChIKey of 1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is MRFUBKAOGZXVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)14-6-4-12(5-7-14)9-16-8-11(15)13(12)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-propan-2-yl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 146394634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).