5-methyl-3H-phosphole

C5H7P — CID 14919175

IUPAC5-methyl-3H-phosphole
SMILESCC1=CCC=P1
InChIInChI=1S/C5H7P/c1-5-3-2-4-6-5/h3-4H,2H2,1H3
InChIKeyZBJWGDBSUUSABI-UHFFFAOYSA-N
MW98.08 g/mol
LogP2.04
Rot. Bonds

About 5-methyl-3H-phosphole

5-methyl-3H-phosphole (PubChem CID 14919175) has the molecular formula C5H7P and a molecular weight of 98.08 g/mol. Its IUPAC name is 5-methyl-3H-phosphole.

Molecular Properties

Compound Name5-methyl-3H-phosphole
PubChem CID14919175
Molecular FormulaC5H7P
Molecular Weight98.08 g/mol
Exact Mass98.03
IUPAC Name5-methyl-3H-phosphole
SMILESCC1=CCC=P1
InChIInChI=1S/C5H7P/c1-5-3-2-4-6-5/h3-4H,2H2,1H3
InChIKeyZBJWGDBSUUSABI-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylphosphete
CID 150099951
2,6-dimethyl-4H-thiopyran
CID 54402561
1,2,6-trimethyl-4H-pyridine
CID 118906962
1,4-dimethylcyclohexa-1,4-diene
CID 4589179
2,6-dimethyl-4H-pyran;ethane
CID 143762964
2,3-dimethyl-4,6-dihydro-1H-cyclopenta[b]pyrazine
CID 174070192
2-tert-butyl-6-methyl-4H-pyran
CID 141260258
ethane;1-methylcyclobutene
CID 91484029
1-methylcyclobutene;sulfane
CID 90109296
2,5-dimethylpyrazine;hydrochloride
CID 160725136
2,5-dimethylpyrazine;ethane
CID 143125119
cyclopenta-1,4-dien-1-ylmethyl-ethoxy-dimethylsilane
CID 22555377

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3H-phosphole?
The IUPAC name of 5-methyl-3H-phosphole (CID 14919175) is 5-methyl-3H-phosphole.
What is the SMILES notation for 5-methyl-3H-phosphole?
The canonical SMILES for 5-methyl-3H-phosphole is CC1=CCC=P1.
What is the InChIKey of 5-methyl-3H-phosphole?
The InChIKey is ZBJWGDBSUUSABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7P/c1-5-3-2-4-6-5/h3-4H,2H2,1H3.
What are the key properties of 5-methyl-3H-phosphole?
5-methyl-3H-phosphole has a molecular weight of 98.08 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-phosphole is sourced from PubChem (CID 14919175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).