1-methyl-3-prop-2-ynoxycyclopentene

C9H12O — CID 102025645

IUPAC1-methyl-3-prop-2-ynoxycyclopentene
SMILESC#CCOC1C=C(C)CC1
InChIInChI=1S/C9H12O/c1-3-6-10-9-5-4-8(2)7-9/h1,7,9H,4-6H2,2H3
InChIKeyBXRABOZLBPUQJL-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.74
Rot. Bonds2

About 1-methyl-3-prop-2-ynoxycyclopentene

1-methyl-3-prop-2-ynoxycyclopentene (PubChem CID 102025645) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 1-methyl-3-prop-2-ynoxycyclopentene.

Molecular Properties

Compound Name1-methyl-3-prop-2-ynoxycyclopentene
PubChem CID102025645
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name1-methyl-3-prop-2-ynoxycyclopentene
SMILESC#CCOC1C=C(C)CC1
InChIInChI=1S/C9H12O/c1-3-6-10-9-5-4-8(2)7-9/h1,7,9H,4-6H2,2H3
InChIKeyBXRABOZLBPUQJL-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-2-ynoxycyclopentene?
The IUPAC name of 1-methyl-3-prop-2-ynoxycyclopentene (CID 102025645) is 1-methyl-3-prop-2-ynoxycyclopentene.
What is the SMILES notation for 1-methyl-3-prop-2-ynoxycyclopentene?
The canonical SMILES for 1-methyl-3-prop-2-ynoxycyclopentene is C#CCOC1C=C(C)CC1.
What is the InChIKey of 1-methyl-3-prop-2-ynoxycyclopentene?
The InChIKey is BXRABOZLBPUQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-6-10-9-5-4-8(2)7-9/h1,7,9H,4-6H2,2H3.
What are the key properties of 1-methyl-3-prop-2-ynoxycyclopentene?
1-methyl-3-prop-2-ynoxycyclopentene has a molecular weight of 136.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-ynoxycyclopentene is sourced from PubChem (CID 102025645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).