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

C15H20N2O2 — CID 104974227

IUPAC(E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C15H20N2O2/c18-15(8-7-14-4-2-10-19-14)17(13-5-6-13)11-12-3-1-9-16-12/h2,4,7-8,10,12-13,16H,1,3,5-6,9,11H2/b8-7+
InChIKeyBVAOYKKXRWBBSC-BQYQJAHWSA-N
MW260.34 g/mol
LogP2.04
Rot. Bonds5

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

(E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (PubChem CID 104974227) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
PubChem CID104974227
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C15H20N2O2/c18-15(8-7-14-4-2-10-19-14)17(13-5-6-13)11-12-3-1-9-16-12/h2,4,7-8,10,12-13,16H,1,3,5-6,9,11H2/b8-7+
InChIKeyBVAOYKKXRWBBSC-BQYQJAHWSA-N
XLogP2.04
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.04
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)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106607941
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 104974146
(E)-3-(furan-2-yl)-N-piperidin-4-yl-N-propylprop-2-enamide
CID 60806754
3-[cyclohexyl-[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid
CID 82326281
2-[3-(furan-2-yl)prop-2-enoyl-(oxan-4-yl)amino]acetic acid
CID 126772951
N-cyclopropyl-3-(furan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626726
(E)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-N-(oxan-4-yl)prop-2-enamide
CID 90606971
N-ethyl-3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79720544
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455
N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide
CID 72687598
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide (CID 104974227) is (E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccco1)N(CC1CCCN1)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
The InChIKey is BVAOYKKXRWBBSC-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(8-7-14-4-2-10-19-14)17(13-5-6-13)11-12-3-1-9-16-12/h2,4,7-8,10,12-13,16H,1,3,5-6,9,11H2/b8-7+.
What are the key properties of (E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide?
(E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 104974227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).