1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one

C15H27NO — CID 166733009

IUPAC1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one
SMILESCN1C(=O)CCC2CC(C)(C)CCCCCC21
InChIInChI=1S/C15H27NO/c1-15(2)10-6-4-5-7-13-12(11-15)8-9-14(17)16(13)3/h12-13H,4-11H2,1-3H3
InChIKeyDEUKSLWVPLKCMD-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.60
Rot. Bonds

About 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one

1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one (PubChem CID 166733009) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one.

Molecular Properties

Compound Name1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one
PubChem CID166733009
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one
SMILESCN1C(=O)CCC2CC(C)(C)CCCCCC21
InChIInChI=1S/C15H27NO/c1-15(2)10-6-4-5-7-13-12(11-15)8-9-14(17)16(13)3/h12-13H,4-11H2,1-3H3
InChIKeyDEUKSLWVPLKCMD-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one?
The IUPAC name of 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one (CID 166733009) is 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one.
What is the SMILES notation for 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one?
The canonical SMILES for 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one is CN1C(=O)CCC2CC(C)(C)CCCCCC21.
What is the InChIKey of 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one?
The InChIKey is DEUKSLWVPLKCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-15(2)10-6-4-5-7-13-12(11-15)8-9-14(17)16(13)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one?
1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-3,4,4a,5,7,8,9,10,11,11a-decahydrocyclonona[b]pyridin-2-one is sourced from PubChem (CID 166733009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).