3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone

C15H16N2O2 — CID 114272621

IUPAC3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone
SMILESCCn1cnc(C(=O)C2COc3ccccc3C2)c1
InChIInChI=1S/C15H16N2O2/c1-2-17-8-13(16-10-17)15(18)12-7-11-5-3-4-6-14(11)19-9-12/h3-6,8,10,12H,2,7,9H2,1H3
InChIKeyYCKJRVNZMZQHBO-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.34
Rot. Bonds3

About 3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone

3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone (PubChem CID 114272621) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone
PubChem CID114272621
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone
SMILESCCn1cnc(C(=O)C2COc3ccccc3C2)c1
InChIInChI=1S/C15H16N2O2/c1-2-17-8-13(16-10-17)15(18)12-7-11-5-3-4-6-14(11)19-9-12/h3-6,8,10,12H,2,7,9H2,1H3
InChIKeyYCKJRVNZMZQHBO-UHFFFAOYSA-N
XLogP2.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone
CID 114272629
3-bicyclo[3.1.0]hexanyl-(1-ethylimidazol-4-yl)methanone
CID 130509710
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone
CID 65407973
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407021
(2-amino-3-pyridinyl)-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 65408944
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95172963
3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone
CID 79991091
(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279816

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone (CID 114272621) is 3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone is CCn1cnc(C(=O)C2COc3ccccc3C2)c1.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone?
The InChIKey is YCKJRVNZMZQHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-17-8-13(16-10-17)15(18)12-7-11-5-3-4-6-14(11)19-9-12/h3-6,8,10,12H,2,7,9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone?
3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(1-ethylimidazol-4-yl)methanone is sourced from PubChem (CID 114272621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).