1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone

C14H15NO2 — CID 114747975

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C14H15NO2/c1-2-8-15-10-13(16)12-7-3-5-11-6-4-9-17-14(11)12/h1,3,5,7,15H,4,6,8-10H2
InChIKeyMIYPVTGWXBOAHT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.42
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone

1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 114747975) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID114747975
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)c1cccc2c1OCCC2
InChIInChI=1S/C14H15NO2/c1-2-8-15-10-13(16)12-7-3-5-11-6-4-9-17-14(11)12/h1,3,5,7,15H,4,6,8-10H2
InChIKeyMIYPVTGWXBOAHT-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747793
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
CID 105133620
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one
CID 103447275
1-(3,4-dihydro-2H-chromen-8-yl)-2-(3-methylphenyl)sulfanylethanone
CID 114744206

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone (CID 114747975) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is MIYPVTGWXBOAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-8-15-10-13(16)12-7-3-5-11-6-4-9-17-14(11)12/h1,3,5,7,15H,4,6,8-10H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone?
1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 229.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 114747975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).