2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone

C14H18O2 — CID 104789384

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone
SMILESCc1occc1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H18O2/c1-9-13(4-5-16-9)14(15)8-12-7-10-2-3-11(12)6-10/h4-5,10-12H,2-3,6-8H2,1H3
InChIKeyBBGYVTIZCBCANV-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.60
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone (PubChem CID 104789384) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone
PubChem CID104789384
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone
SMILESCc1occc1C(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H18O2/c1-9-13(4-5-16-9)14(15)8-12-7-10-2-3-11(12)6-10/h4-5,10-12H,2-3,6-8H2,1H3
InChIKeyBBGYVTIZCBCANV-UHFFFAOYSA-N
XLogP3.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115784981
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 115784988
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
CID 114973514
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 115799934
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 79559413
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789651
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379569
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 79558422
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-iodo-1-(2-methylfuran-3-yl)ethanone
CID 89341465
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone (CID 104789384) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone is Cc1occc1C(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone?
The InChIKey is BBGYVTIZCBCANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-13(4-5-16-9)14(15)8-12-7-10-2-3-11(12)6-10/h4-5,10-12H,2-3,6-8H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone is sourced from PubChem (CID 104789384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).