3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one

C11H12N2O2 — CID 105101081

IUPAC3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1C(=O)CCc1ccco1
InChIInChI=1S/C11H12N2O2/c1-13-7-6-12-11(13)10(14)5-4-9-3-2-8-15-9/h2-3,6-8H,4-5H2,1H3
InChIKeyMQEVKSBPBDXTBM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.83
Rot. Bonds4

About 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one

3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one (PubChem CID 105101081) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one
PubChem CID105101081
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one
SMILESCn1ccnc1C(=O)CCc1ccco1
InChIInChI=1S/C11H12N2O2/c1-13-7-6-12-11(13)10(14)5-4-9-3-2-8-15-9/h2-3,6-8H,4-5H2,1H3
InChIKeyMQEVKSBPBDXTBM-UHFFFAOYSA-N
XLogP1.83
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529476
3-(3-aminophenyl)-1-(1-methylimidazol-2-yl)propan-1-one
CID 82474092
3-(furan-2-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128986107
[3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105308202
2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone
CID 63977072
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol
CID 105098994
1-(2-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529651
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one (CID 105101081) is 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one is Cn1ccnc1C(=O)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one?
The InChIKey is MQEVKSBPBDXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-7-6-12-11(13)10(14)5-4-9-3-2-8-15-9/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one?
3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one has a molecular weight of 204.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 105101081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).