2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone

C14H16O2 — CID 63709217

IUPAC2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
SMILESO=C(CC1CC1)C1CCOc2ccccc21
InChIInChI=1S/C14H16O2/c15-13(9-10-5-6-10)11-7-8-16-14-4-2-1-3-12(11)14/h1-4,10-11H,5-9H2
InChIKeyHELYEHQMITZGLK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.92
Rot. Bonds3

About 2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone

2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone (PubChem CID 63709217) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
PubChem CID63709217
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
SMILESO=C(CC1CC1)C1CCOc2ccccc21
InChIInChI=1S/C14H16O2/c15-13(9-10-5-6-10)11-7-8-16-14-4-2-1-3-12(11)14/h1-4,10-11H,5-9H2
InChIKeyHELYEHQMITZGLK-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethylpentan-1-one
CID 65409112
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
1-(3,4-dihydro-2H-chromen-4-yl)-3-methylhexan-1-one
CID 65409121
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408731
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methylphenyl)propan-1-one
CID 63710119
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408732
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone (CID 63709217) is 2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone is O=C(CC1CC1)C1CCOc2ccccc21.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
The InChIKey is HELYEHQMITZGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-13(9-10-5-6-10)11-7-8-16-14-4-2-1-3-12(11)14/h1-4,10-11H,5-9H2.
What are the key properties of 2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone?
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone is sourced from PubChem (CID 63709217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).