5-(5-cyclohexylpentyl)-1H-pyridin-2-one

C16H25NO — CID 90424375

IUPAC5-(5-cyclohexylpentyl)-1H-pyridin-2-one
SMILESO=c1ccc(CCCCCC2CCCCC2)c[nH]1
InChIInChI=1S/C16H25NO/c18-16-12-11-15(13-17-16)10-6-2-5-9-14-7-3-1-4-8-14/h11-14H,1-10H2,(H,17,18)
InChIKeyZFUAQSXHXXEZPN-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.06
Rot. Bonds6

About 5-(5-cyclohexylpentyl)-1H-pyridin-2-one

5-(5-cyclohexylpentyl)-1H-pyridin-2-one (PubChem CID 90424375) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-(5-cyclohexylpentyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(5-cyclohexylpentyl)-1H-pyridin-2-one
PubChem CID90424375
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-(5-cyclohexylpentyl)-1H-pyridin-2-one
SMILESO=c1ccc(CCCCCC2CCCCC2)c[nH]1
InChIInChI=1S/C16H25NO/c18-16-12-11-15(13-17-16)10-6-2-5-9-14-7-3-1-4-8-14/h11-14H,1-10H2,(H,17,18)
InChIKeyZFUAQSXHXXEZPN-UHFFFAOYSA-N
XLogP4.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 44284125
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CID 157164886
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CID 18941807
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CID 10241675
CID 10241675
CID 19768457
CID 19768457
CID 21691430
CID 21691430
CID 45788482
CID 45788482
CID 45788485
CID 45788485
CID 45788488
CID 45788488
CID 53699345
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CID 54274488
CID 54274488

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexylpentyl)-1H-pyridin-2-one?
The IUPAC name of 5-(5-cyclohexylpentyl)-1H-pyridin-2-one (CID 90424375) is 5-(5-cyclohexylpentyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(5-cyclohexylpentyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(5-cyclohexylpentyl)-1H-pyridin-2-one is O=c1ccc(CCCCCC2CCCCC2)c[nH]1.
What is the InChIKey of 5-(5-cyclohexylpentyl)-1H-pyridin-2-one?
The InChIKey is ZFUAQSXHXXEZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-16-12-11-15(13-17-16)10-6-2-5-9-14-7-3-1-4-8-14/h11-14H,1-10H2,(H,17,18).
What are the key properties of 5-(5-cyclohexylpentyl)-1H-pyridin-2-one?
5-(5-cyclohexylpentyl)-1H-pyridin-2-one has a molecular weight of 247.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexylpentyl)-1H-pyridin-2-one is sourced from PubChem (CID 90424375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).