7-(5-methylfuran-2-yl)-4-oxoheptanamide

C12H17NO3 — CID 163809380

IUPAC7-(5-methylfuran-2-yl)-4-oxoheptanamide
SMILESCc1ccc(CCCC(=O)CCC(N)=O)o1
InChIInChI=1S/C12H17NO3/c1-9-5-7-11(16-9)4-2-3-10(14)6-8-12(13)15/h5,7H,2-4,6,8H2,1H3,(H2,13,15)
InChIKeyNLXCWXHOLTYRCO-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.75
Rot. Bonds7

About 7-(5-methylfuran-2-yl)-4-oxoheptanamide

7-(5-methylfuran-2-yl)-4-oxoheptanamide (PubChem CID 163809380) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 7-(5-methylfuran-2-yl)-4-oxoheptanamide.

Molecular Properties

Compound Name7-(5-methylfuran-2-yl)-4-oxoheptanamide
PubChem CID163809380
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name7-(5-methylfuran-2-yl)-4-oxoheptanamide
SMILESCc1ccc(CCCC(=O)CCC(N)=O)o1
InChIInChI=1S/C12H17NO3/c1-9-5-7-11(16-9)4-2-3-10(14)6-8-12(13)15/h5,7H,2-4,6,8H2,1H3,(H2,13,15)
InChIKeyNLXCWXHOLTYRCO-UHFFFAOYSA-N
XLogP1.75
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-2-propionylfuran
CID 82757
1-(5-Ethylfuran-2-yl)ethan-1-one
CID 273065
2-Butanoyl-5-methylfuran
CID 255146
3-(5-Methylfuran-2-yl)propan-1-amine
CID 12920834
1-(5-Dodecylfuran-2-yl)ethanone
CID 14377108
3-(5-Methyl-2-furyl)propanamide
CID 796860
4-(2'-Furyl-5'-methyl)-butan-2-one
CID 13077177
1-(5-Methyl-2-furanyl)-4-pentanone
CID 91747970
3-(Furan-2-yl)-3-oxopropanamide
CID 21590274
1-Furyl-3-aminohexane
CID 62998117
4-(5-Methylfuran-2-yl)butanal
CID 85953037
2-Ethyl-5-propionylfuran
CID 13709981

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylfuran-2-yl)-4-oxoheptanamide?
The IUPAC name of 7-(5-methylfuran-2-yl)-4-oxoheptanamide (CID 163809380) is 7-(5-methylfuran-2-yl)-4-oxoheptanamide.
What is the SMILES notation for 7-(5-methylfuran-2-yl)-4-oxoheptanamide?
The canonical SMILES for 7-(5-methylfuran-2-yl)-4-oxoheptanamide is Cc1ccc(CCCC(=O)CCC(N)=O)o1.
What is the InChIKey of 7-(5-methylfuran-2-yl)-4-oxoheptanamide?
The InChIKey is NLXCWXHOLTYRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-5-7-11(16-9)4-2-3-10(14)6-8-12(13)15/h5,7H,2-4,6,8H2,1H3,(H2,13,15).
What are the key properties of 7-(5-methylfuran-2-yl)-4-oxoheptanamide?
7-(5-methylfuran-2-yl)-4-oxoheptanamide has a molecular weight of 223.27 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylfuran-2-yl)-4-oxoheptanamide is sourced from PubChem (CID 163809380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).