1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone

C12H15NO2 — CID 104651831

IUPAC1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone
SMILESC#CCN(CCC)c1ccc(C(C)=O)o1
InChIInChI=1S/C12H15NO2/c1-4-8-13(9-5-2)12-7-6-11(15-12)10(3)14/h1,6-7H,5,8-9H2,2-3H3
InChIKeyXXHJQZJJIVKUKU-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.33
Rot. Bonds5

About 1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone

1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone (PubChem CID 104651831) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone
PubChem CID104651831
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone
SMILESC#CCN(CCC)c1ccc(C(C)=O)o1
InChIInChI=1S/C12H15NO2/c1-4-8-13(9-5-2)12-7-6-11(15-12)10(3)14/h1,6-7H,5,8-9H2,2-3H3
InChIKeyXXHJQZJJIVKUKU-UHFFFAOYSA-N
XLogP2.33
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(diethylamino)furan-2-yl]ethanone
CID 82375806
2-[(5-acetylfuran-2-yl)-(cyanomethyl)amino]acetonitrile
CID 104651498
1-[5-bromo-2-[propyl(prop-2-ynyl)amino]phenyl]ethanone
CID 82967230
5-[butyl(ethyl)amino]furan-2-carboxylic acid
CID 62205838
1-[5-(N-ethyl-4-methylanilino)furan-2-yl]ethanone
CID 104651696
1-[5-[2-methylpropyl(propan-2-yl)amino]furan-2-yl]ethanone
CID 104651665
1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone
CID 104651513
1-[5-[1-cyclopropylethyl(methyl)amino]furan-2-yl]ethanone
CID 104651567
3-nitro-2-[propyl(prop-2-ynyl)amino]benzoic acid
CID 112576968
1-[5-[ethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119677
1-[5-[propan-2-yl(prop-2-enyl)amino]furan-2-yl]ethanone
CID 104651835
N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78970529

Frequently Asked Questions

What is the IUPAC name of 1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone (CID 104651831) is 1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone is C#CCN(CCC)c1ccc(C(C)=O)o1.
What is the InChIKey of 1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone?
The InChIKey is XXHJQZJJIVKUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-8-13(9-5-2)12-7-6-11(15-12)10(3)14/h1,6-7H,5,8-9H2,2-3H3.
What are the key properties of 1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone?
1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone has a molecular weight of 205.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[propyl(prop-2-ynyl)amino]furan-2-yl]ethanone is sourced from PubChem (CID 104651831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).