(Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one

C14H12N2O2 — CID 134849512

IUPAC(Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
SMILESC#CCN/C(=C\C(=O)c1ccco1)c1ccc[nH]1
InChIInChI=1S/C14H12N2O2/c1-2-7-15-12(11-5-3-8-16-11)10-13(17)14-6-4-9-18-14/h1,3-6,8-10,15-16H,7H2/b12-10-
InChIKeyUVZUPKNIGAQIHY-BENRWUELSA-N
MW240.26 g/mol
LogP2.05
Rot. Bonds5

About (Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one

(Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one (PubChem CID 134849512) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
PubChem CID134849512
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
SMILESC#CCN/C(=C\C(=O)c1ccco1)c1ccc[nH]1
InChIInChI=1S/C14H12N2O2/c1-2-7-15-12(11-5-3-8-16-11)10-13(17)14-6-4-9-18-14/h1,3-6,8-10,15-16H,7H2/b12-10-
InChIKeyUVZUPKNIGAQIHY-BENRWUELSA-N
XLogP2.05
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 40637844
(E)-4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 68590353
1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
CID 116589590
N-(1H-pyrrol-2-ylmethyl)furan-2-carboxamide
CID 110374911
N-pent-4-ynylfuran-2-carboxamide
CID 103708847
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110807785
(Z)-1-(furan-2-yl)-3-methylsulfanyl-4-phenylbut-2-en-1-one
CID 10879770
1-(furan-2-yl)prop-2-en-1-one;1-methylpyrrolidine
CID 175602193
1-(furan-2-yl)-3-(1H-pyrrol-2-yl)prop-2-yn-1-one
CID 134849657
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-pent-3-ynylfuran-2-carboxamide
CID 115977286

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one (CID 134849512) is (Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one is C#CCN/C(=C\C(=O)c1ccco1)c1ccc[nH]1.
What is the InChIKey of (Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
The InChIKey is UVZUPKNIGAQIHY-BENRWUELSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-7-15-12(11-5-3-8-16-11)10-13(17)14-6-4-9-18-14/h1,3-6,8-10,15-16H,7H2/b12-10-.
What are the key properties of (Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one?
(Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one has a molecular weight of 240.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(furan-2-yl)-3-(prop-2-ynylamino)-3-(1H-pyrrol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 134849512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).