1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one

C11H7NO2 — CID 134849657

IUPAC1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one
SMILESO=C(C#Cc1ccc[nH]1)c1ccco1
InChIInChI=1S/C11H7NO2/c13-10(11-4-2-8-14-11)6-5-9-3-1-7-12-9/h1-4,7-8,12H
InChIKeyLZUQNICEQTYUHV-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.84
Rot. Bonds1

About 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one

1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one (PubChem CID 134849657) has the molecular formula C11H7NO2 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one
PubChem CID134849657
Molecular FormulaC11H7NO2
Molecular Weight185.18 g/mol
Exact Mass185.05
IUPAC Name1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one
SMILESO=C(C#Cc1ccc[nH]1)c1ccco1
InChIInChI=1S/C11H7NO2/c13-10(11-4-2-8-14-11)6-5-9-3-1-7-12-9/h1-4,7-8,12H
InChIKeyLZUQNICEQTYUHV-UHFFFAOYSA-N
XLogP1.84
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-carboxylic acid;gold
CID 174701575
(2-oxo-1H-pyridin-3-yl) furan-2-carboxylate
CID 44583499
N-(1H-pyrrol-2-ylmethyl)furan-2-carboxamide
CID 110374911
furan-2-carboxamide;molecular hydrogen
CID 145259960
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311
furan-2-yl(phosphanyl)methanone
CID 151549332
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110807785
sodium furan-2-carboxylate
CID 19205589
Se-(furan-2-carbonyl) furan-2-carboselenoate
CID 10967528
cesium furan-2-carboxylate
CID 140900702

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one?
The IUPAC name of 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one (CID 134849657) is 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one is O=C(C#Cc1ccc[nH]1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one?
The InChIKey is LZUQNICEQTYUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2/c13-10(11-4-2-8-14-11)6-5-9-3-1-7-12-9/h1-4,7-8,12H.
What are the key properties of 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one?
1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one has a molecular weight of 185.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one is sourced from PubChem (CID 134849657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).