(E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C15H18N2O2 — CID 47015563

IUPAC(E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)N(C)CCC#N)o1
InChIInChI=1S/C15H18N2O2/c1-11-10-13(11)14-6-4-12(19-14)5-7-15(18)17(2)9-3-8-16/h4-7,11,13H,3,9-10H2,1-2H3/b7-5+
InChIKeyCLHWSUOHLMYTSD-FNORWQNLSA-N
MW258.32 g/mol
LogP2.79
Rot. Bonds5

About (E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 47015563) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID47015563
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)N(C)CCC#N)o1
InChIInChI=1S/C15H18N2O2/c1-11-10-13(11)14-6-4-12(19-14)5-7-15(18)17(2)9-3-8-16/h4-7,11,13H,3,9-10H2,1-2H3/b7-5+
InChIKeyCLHWSUOHLMYTSD-FNORWQNLSA-N
XLogP2.79
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 47015563) is (E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC1CC1c1ccc(/C=C/C(=O)N(C)CCC#N)o1.
What is the InChIKey of (E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is CLHWSUOHLMYTSD-FNORWQNLSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-10-13(11)14-6-4-12(19-14)5-7-15(18)17(2)9-3-8-16/h4-7,11,13H,3,9-10H2,1-2H3/b7-5+.
What are the key properties of (E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 258.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 47015563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).