butane;1-pyridin-4-ylethanone

C11H17NO — CID 174655632

IUPACbutane;1-pyridin-4-ylethanone
SMILESCC(=O)c1ccncc1.CCCC
InChIInChI=1S/C7H7NO.C4H10/c1-6(9)7-2-4-8-5-3-7;1-3-4-2/h2-5H,1H3;3-4H2,1-2H3
InChIKeyGBQGAGJKPSIXCW-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.09
Rot. Bonds2

About butane;1-pyridin-4-ylethanone

butane;1-pyridin-4-ylethanone (PubChem CID 174655632) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is butane;1-pyridin-4-ylethanone.

Molecular Properties

Compound Namebutane;1-pyridin-4-ylethanone
PubChem CID174655632
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namebutane;1-pyridin-4-ylethanone
SMILESCC(=O)c1ccncc1.CCCC
InChIInChI=1S/C7H7NO.C4H10/c1-6(9)7-2-4-8-5-3-7;1-3-4-2/h2-5H,1H3;3-4H2,1-2H3
InChIKeyGBQGAGJKPSIXCW-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butane;1-(4-hydroxyphenyl)ethanone
CID 142352310
pentan-2-one;pyridine-4-carboxylic acid
CID 174864210
1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone
CID 97356056
1-(4-bromophenyl)ethanone;butane
CID 69403420
1-(4-acetylpyridin-1-ium-1-yl)propan-2-one;1-chloropropan-2-one;1-pyridin-4-ylethanone;chloride
CID 160664342
propan-2-one;pyridine-4-carboxamide
CID 174689468
1-pyridin-4-ylhexadecan-1-one
CID 102412701
N-butylpyridine-4-carboxamide
CID 5030535
2-oxo-N,N-dipropyl-2-pyridin-4-ylacetamide
CID 12025004
1-(4-acetylphenyl)ethanone;methane
CID 159515104
hexane;1-phenylethanone
CID 160797049
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549

Frequently Asked Questions

What is the IUPAC name of butane;1-pyridin-4-ylethanone?
The IUPAC name of butane;1-pyridin-4-ylethanone (CID 174655632) is butane;1-pyridin-4-ylethanone.
What is the SMILES notation for butane;1-pyridin-4-ylethanone?
The canonical SMILES for butane;1-pyridin-4-ylethanone is CC(=O)c1ccncc1.CCCC.
What is the InChIKey of butane;1-pyridin-4-ylethanone?
The InChIKey is GBQGAGJKPSIXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C4H10/c1-6(9)7-2-4-8-5-3-7;1-3-4-2/h2-5H,1H3;3-4H2,1-2H3.
What are the key properties of butane;1-pyridin-4-ylethanone?
butane;1-pyridin-4-ylethanone has a molecular weight of 179.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-pyridin-4-ylethanone is sourced from PubChem (CID 174655632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).