(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide

C13H18N2O2 — CID 106607941

IUPAC(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESCN(CC1CCCN1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C13H18N2O2/c1-15(10-11-4-2-8-14-11)13(16)7-6-12-5-3-9-17-12/h3,5-7,9,11,14H,2,4,8,10H2,1H3/b7-6+
InChIKeyYYCDQMFYXBLELU-VOTSOKGWSA-N
MW234.30 g/mol
LogP1.50
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (PubChem CID 106607941) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
PubChem CID106607941
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESCN(CC1CCCN1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C13H18N2O2/c1-15(10-11-4-2-8-14-11)13(16)7-6-12-5-3-9-17-12/h3,5-7,9,11,14H,2,4,8,10H2,1H3/b7-6+
InChIKeyYYCDQMFYXBLELU-VOTSOKGWSA-N
XLogP1.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.50
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-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 104974227
(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106627267
(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 155996619
N-ethyl-3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79720544
4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
CID 75395580
(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609856
(E)-3-(furan-2-yl)-N-piperidin-4-yl-N-propylprop-2-enamide
CID 60806754
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106607345
N-methyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106607527
(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 26326658
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (CID 106607941) is (E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is CN(CC1CCCN1)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The InChIKey is YYCDQMFYXBLELU-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(10-11-4-2-8-14-11)13(16)7-6-12-5-3-9-17-12/h3,5-7,9,11,14H,2,4,8,10H2,1H3/b7-6+.
What are the key properties of (E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide has a molecular weight of 234.30 g/mol, XLogP of 1.50, 4 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-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 106607941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).