(4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine

C11H13NO — CID 92855630

IUPAC(4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine
SMILESC=CC[C@H]1c2ccoc2C=CN1C
InChIInChI=1S/C11H13NO/c1-3-4-10-9-6-8-13-11(9)5-7-12(10)2/h3,5-8,10H,1,4H2,2H3/t10-/m0/s1
InChIKeyNTZGZIROQDINCK-JTQLQIEISA-N
MW175.23 g/mol
LogP2.81
Rot. Bonds2

About (4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine

(4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine (PubChem CID 92855630) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name(4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine
PubChem CID92855630
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine
SMILESC=CC[C@H]1c2ccoc2C=CN1C
InChIInChI=1S/C11H13NO/c1-3-4-10-9-6-8-13-11(9)5-7-12(10)2/h3,5-8,10H,1,4H2,2H3/t10-/m0/s1
InChIKeyNTZGZIROQDINCK-JTQLQIEISA-N
XLogP2.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
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 (4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine?
The IUPAC name of (4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine (CID 92855630) is (4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine.
What is the SMILES notation for (4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine?
The canonical SMILES for (4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine is C=CC[C@H]1c2ccoc2C=CN1C.
What is the InChIKey of (4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine?
The InChIKey is NTZGZIROQDINCK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO/c1-3-4-10-9-6-8-13-11(9)5-7-12(10)2/h3,5-8,10H,1,4H2,2H3/t10-/m0/s1.
What are the key properties of (4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine?
(4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine has a molecular weight of 175.23 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-methyl-4-prop-2-enyl-4H-furo[3,2-c]pyridine is sourced from PubChem (CID 92855630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).