2-ethynyl-1-methyl-1-propylcyclopropane

C9H14 — CID 91554702

IUPAC2-ethynyl-1-methyl-1-propylcyclopropane
SMILESC#CC1CC1(C)CCC
InChIInChI=1S/C9H14/c1-4-6-9(3)7-8(9)5-2/h2,8H,4,6-7H2,1,3H3
InChIKeyBYZZMXUZYWDJCL-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.45
Rot. Bonds2

About 2-ethynyl-1-methyl-1-propylcyclopropane

2-ethynyl-1-methyl-1-propylcyclopropane (PubChem CID 91554702) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-ethynyl-1-methyl-1-propylcyclopropane.

Molecular Properties

Compound Name2-ethynyl-1-methyl-1-propylcyclopropane
PubChem CID91554702
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2-ethynyl-1-methyl-1-propylcyclopropane
SMILESC#CC1CC1(C)CCC
InChIInChI=1S/C9H14/c1-4-6-9(3)7-8(9)5-2/h2,8H,4,6-7H2,1,3H3
InChIKeyBYZZMXUZYWDJCL-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-Methylbut-3-yn-2-yl)cyclopropane
CID 54383554
1-Ethynyl-1,2,2,3,3-pentamethylcyclopropane
CID 59937111
1-Ethynyl-1-(propan-2-yl)cyclopropane
CID 123678021
2-Ethynyl-1,1-dimethylcyclopropane
CID 154507527
1-Ethynyl-1,1'-bi(cyclopropane)
CID 102452879
Caryn
CID 20056476
1-Ethynyl-1,2-dimethylcyclopropane
CID 21718085
1-Ethynyl-1,2,2-trimethylcyclopropane
CID 177369693
7,7-Diethynyldispiro[2.0.2.1]heptane
CID 11829556
1,1-Diethynyl-2,2,3,3-tetramethylcyclopropane
CID 91333152
9-Ethynyl-9-methylbicyclo[6.1.0]non-4-yne
CID 134613060
1,2-Diethynyl-1-methylcyclopropane
CID 134888032

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-1-methyl-1-propylcyclopropane?
The IUPAC name of 2-ethynyl-1-methyl-1-propylcyclopropane (CID 91554702) is 2-ethynyl-1-methyl-1-propylcyclopropane.
What is the SMILES notation for 2-ethynyl-1-methyl-1-propylcyclopropane?
The canonical SMILES for 2-ethynyl-1-methyl-1-propylcyclopropane is C#CC1CC1(C)CCC.
What is the InChIKey of 2-ethynyl-1-methyl-1-propylcyclopropane?
The InChIKey is BYZZMXUZYWDJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-4-6-9(3)7-8(9)5-2/h2,8H,4,6-7H2,1,3H3.
What are the key properties of 2-ethynyl-1-methyl-1-propylcyclopropane?
2-ethynyl-1-methyl-1-propylcyclopropane has a molecular weight of 122.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-1-methyl-1-propylcyclopropane is sourced from PubChem (CID 91554702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).