4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one

C17H17NO5 — CID 90628516

IUPAC4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(OC2CCN(C(=O)/C=C/c3ccco3)C2)cc(=O)o1
InChIInChI=1S/C17H17NO5/c1-12-9-15(10-17(20)22-12)23-14-6-7-18(11-14)16(19)5-4-13-3-2-8-21-13/h2-5,8-10,14H,6-7,11H2,1H3/b5-4+
InChIKeyHJTCZGADIZSFDX-SNAWJCMRSA-N
MW315.33 g/mol
LogP2.23
Rot. Bonds4

About 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one

4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one (PubChem CID 90628516) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
PubChem CID90628516
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(OC2CCN(C(=O)/C=C/c3ccco3)C2)cc(=O)o1
InChIInChI=1S/C17H17NO5/c1-12-9-15(10-17(20)22-12)23-14-6-7-18(11-14)16(19)5-4-13-3-2-8-21-13/h2-5,8-10,14H,6-7,11H2,1H3/b5-4+
InChIKeyHJTCZGADIZSFDX-SNAWJCMRSA-N
XLogP2.23
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-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

6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one
CID 129410643
(E)-3-(furan-2-yl)-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100620236
(E)-3-(furan-2-yl)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]prop-2-en-1-one
CID 91627002
(E)-3-(furan-2-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]prop-2-en-1-one
CID 100752927
(E)-1-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 100616007
(E)-3-(furan-2-yl)-1-[3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 81469240
6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877879
methyl 1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylate
CID 78968036
N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
CID 90628813
4-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628699
(3R)-N-(2-methoxyphenyl)-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
CID 99877909
1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007276

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one (CID 90628516) is 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one is Cc1cc(OC2CCN(C(=O)/C=C/c3ccco3)C2)cc(=O)o1.
What is the InChIKey of 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one?
The InChIKey is HJTCZGADIZSFDX-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H17NO5/c1-12-9-15(10-17(20)22-12)23-14-6-7-18(11-14)16(19)5-4-13-3-2-8-21-13/h2-5,8-10,14H,6-7,11H2,1H3/b5-4+.
What are the key properties of 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one?
4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one has a molecular weight of 315.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 90628516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).