(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide

C18H18N2O3 — CID 95594085

IUPAC(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H18N2O3/c21-17(9-8-16-7-4-10-23-16)19-15-11-18(22)20(13-15)12-14-5-2-1-3-6-14/h1-10,15H,11-13H2,(H,19,21)/b9-8+/t15-/m1/s1
InChIKeyUQUOAXKWIALGLD-XVJNWHFHSA-N
MW310.35 g/mol
LogP2.21
Rot. Bonds5

About (E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 95594085) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide
PubChem CID95594085
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H18N2O3/c21-17(9-8-16-7-4-10-23-16)19-15-11-18(22)20(13-15)12-14-5-2-1-3-6-14/h1-10,15H,11-13H2,(H,19,21)/b9-8+/t15-/m1/s1
InChIKeyUQUOAXKWIALGLD-XVJNWHFHSA-N
XLogP2.21
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.21
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

N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
CID 95316735
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 108876487
(E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide
CID 75473558
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
N-(1-benzyl-5-oxopyrrolidin-3-yl)thiomorpholine-4-carboxamide
CID 56826197
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584
(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
CID 126855424
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide (CID 95594085) is (E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is UQUOAXKWIALGLD-XVJNWHFHSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(9-8-16-7-4-10-23-16)19-15-11-18(22)20(13-15)12-14-5-2-1-3-6-14/h1-10,15H,11-13H2,(H,19,21)/b9-8+/t15-/m1/s1.
What are the key properties of (E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 310.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 95594085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).