5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran

C9H14O — CID 130224068

IUPAC5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran
SMILESCC1(C2=CCCOC2)CC1
InChIInChI=1S/C9H14O/c1-9(4-5-9)8-3-2-6-10-7-8/h3H,2,4-7H2,1H3
InChIKeyGUMUBHWTHUPWDZ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.13
Rot. Bonds1

About 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran

5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran (PubChem CID 130224068) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran
PubChem CID130224068
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran
SMILESCC1(C2=CCCOC2)CC1
InChIInChI=1S/C9H14O/c1-9(4-5-9)8-3-2-6-10-7-8/h3H,2,4-7H2,1H3
InChIKeyGUMUBHWTHUPWDZ-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran (CID 130224068) is 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran is CC1(C2=CCCOC2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran?
The InChIKey is GUMUBHWTHUPWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(4-5-9)8-3-2-6-10-7-8/h3H,2,4-7H2,1H3.
What are the key properties of 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran?
5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran has a molecular weight of 138.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 130224068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).