N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide

C13H19NO3 — CID 164639633

IUPACN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@H](O)c1cc(C)oc1C
InChIInChI=1S/C13H19NO3/c1-4-5-6-13(16)14-8-12(15)11-7-9(2)17-10(11)3/h4,7,12,15H,1,5-6,8H2,2-3H3,(H,14,16)/t12-/m0/s1
InChIKeyCKFXXWXXJUDDQL-LBPRGKRZSA-N
MW237.30 g/mol
LogP2.01
Rot. Bonds6

About N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide

N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide (PubChem CID 164639633) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide
PubChem CID164639633
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide
SMILESC=CCCC(=O)NC[C@H](O)c1cc(C)oc1C
InChIInChI=1S/C13H19NO3/c1-4-5-6-13(16)14-8-12(15)11-7-9(2)17-10(11)3/h4,7,12,15H,1,5-6,8H2,2-3H3,(H,14,16)/t12-/m0/s1
InChIKeyCKFXXWXXJUDDQL-LBPRGKRZSA-N
XLogP2.01
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide?
The IUPAC name of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide (CID 164639633) is N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide.
What is the SMILES notation for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide?
The canonical SMILES for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide is C=CCCC(=O)NC[C@H](O)c1cc(C)oc1C.
What is the InChIKey of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide?
The InChIKey is CKFXXWXXJUDDQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-5-6-13(16)14-8-12(15)11-7-9(2)17-10(11)3/h4,7,12,15H,1,5-6,8H2,2-3H3,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide?
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide has a molecular weight of 237.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]pent-4-enamide is sourced from PubChem (CID 164639633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).