N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide

C14H19NO3 — CID 71804441

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCC(O)c1ccoc1)C1CC=CCC1
InChIInChI=1S/C14H19NO3/c16-13(12-7-9-18-10-12)6-8-15-14(17)11-4-2-1-3-5-11/h1-2,7,9-11,13,16H,3-6,8H2,(H,15,17)
InChIKeyZAQSDYXSFSRWBD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds5

About N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide

N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71804441) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
PubChem CID71804441
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCC(O)c1ccoc1)C1CC=CCC1
InChIInChI=1S/C14H19NO3/c16-13(12-7-9-18-10-12)6-8-15-14(17)11-4-2-1-3-5-11/h1-2,7,9-11,13,16H,3-6,8H2,(H,15,17)
InChIKeyZAQSDYXSFSRWBD-UHFFFAOYSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
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-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide (CID 71804441) is N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide is O=C(NCCC(O)c1ccoc1)C1CC=CCC1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZAQSDYXSFSRWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(12-7-9-18-10-12)6-8-15-14(17)11-4-2-1-3-5-11/h1-2,7,9-11,13,16H,3-6,8H2,(H,15,17).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71804441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).