methyl 3-propylcyclopropene-1-carboxylate

C8H12O2 — CID 23457985

IUPACmethyl 3-propylcyclopropene-1-carboxylate
SMILESCCCC1C=C1C(=O)OC
InChIInChI=1S/C8H12O2/c1-3-4-6-5-7(6)8(9)10-2/h5-6H,3-4H2,1-2H3
InChIKeyKSLOCMJDGHOCMP-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds3

About methyl 3-propylcyclopropene-1-carboxylate

methyl 3-propylcyclopropene-1-carboxylate (PubChem CID 23457985) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 3-propylcyclopropene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-propylcyclopropene-1-carboxylate
PubChem CID23457985
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 3-propylcyclopropene-1-carboxylate
SMILESCCCC1C=C1C(=O)OC
InChIInChI=1S/C8H12O2/c1-3-4-6-5-7(6)8(9)10-2/h5-6H,3-4H2,1-2H3
InChIKeyKSLOCMJDGHOCMP-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-propylcyclopropene-1-carboxylate?
The IUPAC name of methyl 3-propylcyclopropene-1-carboxylate (CID 23457985) is methyl 3-propylcyclopropene-1-carboxylate.
What is the SMILES notation for methyl 3-propylcyclopropene-1-carboxylate?
The canonical SMILES for methyl 3-propylcyclopropene-1-carboxylate is CCCC1C=C1C(=O)OC.
What is the InChIKey of methyl 3-propylcyclopropene-1-carboxylate?
The InChIKey is KSLOCMJDGHOCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-6-5-7(6)8(9)10-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 3-propylcyclopropene-1-carboxylate?
methyl 3-propylcyclopropene-1-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propylcyclopropene-1-carboxylate is sourced from PubChem (CID 23457985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).