1-(3-methyl-2H-furan-3-yl)pentan-1-one

C10H16O2 — CID 10630940

IUPAC1-(3-methyl-2H-furan-3-yl)pentan-1-one
SMILESCCCCC(=O)C1(C)C=COC1
InChIInChI=1S/C10H16O2/c1-3-4-5-9(11)10(2)6-7-12-8-10/h6-7H,3-5,8H2,1-2H3
InChIKeyNZIVCOHDQILBCK-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds4

About 1-(3-methyl-2H-furan-3-yl)pentan-1-one

1-(3-methyl-2H-furan-3-yl)pentan-1-one (PubChem CID 10630940) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-methyl-2H-furan-3-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-methyl-2H-furan-3-yl)pentan-1-one
PubChem CID10630940
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(3-methyl-2H-furan-3-yl)pentan-1-one
SMILESCCCCC(=O)C1(C)C=COC1
InChIInChI=1S/C10H16O2/c1-3-4-5-9(11)10(2)6-7-12-8-10/h6-7H,3-5,8H2,1-2H3
InChIKeyNZIVCOHDQILBCK-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(Methoxymethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one
CID 67370290
1-[1-(Methoxymethyl)cyclohexa-2,5-dien-1-yl]pentan-1-one
CID 67372189
1-(2-Methyl-2,3-dihydrofuran-3-yl)pentan-1-one
CID 10487309
1-(2,3-Dihydrofuran-3-yl)pentan-1-one
CID 10511067

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-furan-3-yl)pentan-1-one?
The IUPAC name of 1-(3-methyl-2H-furan-3-yl)pentan-1-one (CID 10630940) is 1-(3-methyl-2H-furan-3-yl)pentan-1-one.
What is the SMILES notation for 1-(3-methyl-2H-furan-3-yl)pentan-1-one?
The canonical SMILES for 1-(3-methyl-2H-furan-3-yl)pentan-1-one is CCCCC(=O)C1(C)C=COC1.
What is the InChIKey of 1-(3-methyl-2H-furan-3-yl)pentan-1-one?
The InChIKey is NZIVCOHDQILBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-9(11)10(2)6-7-12-8-10/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 1-(3-methyl-2H-furan-3-yl)pentan-1-one?
1-(3-methyl-2H-furan-3-yl)pentan-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-furan-3-yl)pentan-1-one is sourced from PubChem (CID 10630940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).