(E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide

C18H20N2O2 — CID 72719259

IUPAC(E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1CCCN1c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18(11-10-17-9-5-13-22-17)19-14-16-8-4-12-20(16)15-6-2-1-3-7-15/h1-3,5-7,9-11,13,16H,4,8,12,14H2,(H,19,21)/b11-10+
InChIKeyKVTVNMNBQUWOOO-ZHACJKMWSA-N
MW296.37 g/mol
LogP3.08
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide (PubChem CID 72719259) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide
PubChem CID72719259
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCC1CCCN1c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18(11-10-17-9-5-13-22-17)19-14-16-8-4-12-20(16)15-6-2-1-3-7-15/h1-3,5-7,9-11,13,16H,4,8,12,14H2,(H,19,21)/b11-10+
InChIKeyKVTVNMNBQUWOOO-ZHACJKMWSA-N
XLogP3.08
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 99903531
2-[[3-(furan-2-yl)prop-2-enoylamino]methyl]cyclopentane-1-carboxylic acid
CID 77103563
4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104963667
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 76923291
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200
3-(furan-2-yl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71961619
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
(1-benzylpyrrolidin-2-yl)methyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 45109367
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
2-(1-adamantyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619858

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide (CID 72719259) is (E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide is O=C(/C=C/c1ccco1)NCC1CCCN1c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide?
The InChIKey is KVTVNMNBQUWOOO-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(11-10-17-9-5-13-22-17)19-14-16-8-4-12-20(16)15-6-2-1-3-7-15/h1-3,5-7,9-11,13,16H,4,8,12,14H2,(H,19,21)/b11-10+.
What are the key properties of (E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(1-phenylpyrrolidin-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 72719259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).