4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine

C14H21NO — CID 129173777

IUPAC4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine
SMILESCC1C=CC(C2NCCC3=C2CCO3)CC1
InChIInChI=1S/C14H21NO/c1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14/h2,4,10-11,14-15H,3,5-9H2,1H3
InChIKeyCLNUVMPFKMDVGA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.62
Rot. Bonds1

About 4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine

4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine (PubChem CID 129173777) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine
PubChem CID129173777
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine
SMILESCC1C=CC(C2NCCC3=C2CCO3)CC1
InChIInChI=1S/C14H21NO/c1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14/h2,4,10-11,14-15H,3,5-9H2,1H3
InChIKeyCLNUVMPFKMDVGA-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine?
The IUPAC name of 4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine (CID 129173777) is 4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine.
What is the SMILES notation for 4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine?
The canonical SMILES for 4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine is CC1C=CC(C2NCCC3=C2CCO3)CC1.
What is the InChIKey of 4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine?
The InChIKey is CLNUVMPFKMDVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-2-4-11(5-3-10)14-12-7-9-16-13(12)6-8-15-14/h2,4,10-11,14-15H,3,5-9H2,1H3.
What are the key properties of 4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine?
4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine has a molecular weight of 219.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohex-2-en-1-yl)-2,3,4,5,6,7-hexahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 129173777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).