butane;ethane;1-pyridin-2-ylpropan-1-one

C14H25NO — CID 144892300

IUPACbutane;ethane;1-pyridin-2-ylpropan-1-one
SMILESCC.CCC(=O)c1ccccn1.CCCC
InChIInChI=1S/C8H9NO.C4H10.C2H6/c1-2-8(10)7-5-3-4-6-9-7;1-3-4-2;1-2/h3-6H,2H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeySRDDSDBRGZEGPI-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.51
Rot. Bonds3

About butane;ethane;1-pyridin-2-ylpropan-1-one

butane;ethane;1-pyridin-2-ylpropan-1-one (PubChem CID 144892300) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is butane;ethane;1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Namebutane;ethane;1-pyridin-2-ylpropan-1-one
PubChem CID144892300
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Namebutane;ethane;1-pyridin-2-ylpropan-1-one
SMILESCC.CCC(=O)c1ccccn1.CCCC
InChIInChI=1S/C8H9NO.C4H10.C2H6/c1-2-8(10)7-5-3-4-6-9-7;1-3-4-2;1-2/h3-6H,2H2,1H3;3-4H2,1-2H3;1-2H3
InChIKeySRDDSDBRGZEGPI-UHFFFAOYSA-N
XLogP4.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
1-pyridin-2-ylhexan-1-one
CID 556347
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
ethane;pyridine-2-carbonyl chloride
CID 158598971
1,3-dipyridin-2-ylpent-2-en-1-one
CID 91328700
3-propylimino-1-pyridin-2-ylpropan-1-one
CID 90739015
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
ethane;pyridine-2-carbonyl fluoride
CID 161184414
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
dodecyl-dimethyl-(2-oxo-2-pyridin-2-ylethyl)azanium
CID 10993345

Frequently Asked Questions

What is the IUPAC name of butane;ethane;1-pyridin-2-ylpropan-1-one?
The IUPAC name of butane;ethane;1-pyridin-2-ylpropan-1-one (CID 144892300) is butane;ethane;1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for butane;ethane;1-pyridin-2-ylpropan-1-one?
The canonical SMILES for butane;ethane;1-pyridin-2-ylpropan-1-one is CC.CCC(=O)c1ccccn1.CCCC.
What is the InChIKey of butane;ethane;1-pyridin-2-ylpropan-1-one?
The InChIKey is SRDDSDBRGZEGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C4H10.C2H6/c1-2-8(10)7-5-3-4-6-9-7;1-3-4-2;1-2/h3-6H,2H2,1H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;1-pyridin-2-ylpropan-1-one?
butane;ethane;1-pyridin-2-ylpropan-1-one has a molecular weight of 223.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 144892300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).