5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one

C15H23NO — CID 794271

IUPAC5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one
SMILESO=c1ccc2c([nH]1)CCCCCCCCCC2
InChIInChI=1S/C15H23NO/c17-15-12-11-13-9-7-5-3-1-2-4-6-8-10-14(13)16-15/h11-12H,1-10H2,(H,16,17)
InChIKeyHDBMXVSAUJJCCE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.59
Rot. Bonds

About 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one

5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one (PubChem CID 794271) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one.

Molecular Properties

Compound Name5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one
PubChem CID794271
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one
SMILESO=c1ccc2c([nH]1)CCCCCCCCCC2
InChIInChI=1S/C15H23NO/c17-15-12-11-13-9-7-5-3-1-2-4-6-8-10-14(13)16-15/h11-12H,1-10H2,(H,16,17)
InChIKeyHDBMXVSAUJJCCE-UHFFFAOYSA-N
XLogP3.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one?
The IUPAC name of 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one (CID 794271) is 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one.
What is the SMILES notation for 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one?
The canonical SMILES for 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one is O=c1ccc2c([nH]1)CCCCCCCCCC2.
What is the InChIKey of 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one?
The InChIKey is HDBMXVSAUJJCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c17-15-12-11-13-9-7-5-3-1-2-4-6-8-10-14(13)16-15/h11-12H,1-10H2,(H,16,17).
What are the key properties of 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one?
5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[b]pyridin-2-one is sourced from PubChem (CID 794271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).