(3S)-1-ethenyl-3-prop-2-ynoxycyclopentene

C10H12O — CID 125475114

IUPAC(3S)-1-ethenyl-3-prop-2-ynoxycyclopentene
SMILESC#CCO[C@@H]1C=C(C=C)CC1
InChIInChI=1S/C10H12O/c1-3-7-11-10-6-5-9(4-2)8-10/h1,4,8,10H,2,5-7H2/t10-/m0/s1
InChIKeyFEIDWZVFHMOBEZ-JTQLQIEISA-N
MW148.20 g/mol
LogP1.91
Rot. Bonds3

About (3S)-1-ethenyl-3-prop-2-ynoxycyclopentene

(3S)-1-ethenyl-3-prop-2-ynoxycyclopentene (PubChem CID 125475114) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (3S)-1-ethenyl-3-prop-2-ynoxycyclopentene.

Molecular Properties

Compound Name(3S)-1-ethenyl-3-prop-2-ynoxycyclopentene
PubChem CID125475114
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(3S)-1-ethenyl-3-prop-2-ynoxycyclopentene
SMILESC#CCO[C@@H]1C=C(C=C)CC1
InChIInChI=1S/C10H12O/c1-3-7-11-10-6-5-9(4-2)8-10/h1,4,8,10H,2,5-7H2/t10-/m0/s1
InChIKeyFEIDWZVFHMOBEZ-JTQLQIEISA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethenyl-3-prop-2-ynoxycyclopentene?
The IUPAC name of (3S)-1-ethenyl-3-prop-2-ynoxycyclopentene (CID 125475114) is (3S)-1-ethenyl-3-prop-2-ynoxycyclopentene.
What is the SMILES notation for (3S)-1-ethenyl-3-prop-2-ynoxycyclopentene?
The canonical SMILES for (3S)-1-ethenyl-3-prop-2-ynoxycyclopentene is C#CCO[C@@H]1C=C(C=C)CC1.
What is the InChIKey of (3S)-1-ethenyl-3-prop-2-ynoxycyclopentene?
The InChIKey is FEIDWZVFHMOBEZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12O/c1-3-7-11-10-6-5-9(4-2)8-10/h1,4,8,10H,2,5-7H2/t10-/m0/s1.
What are the key properties of (3S)-1-ethenyl-3-prop-2-ynoxycyclopentene?
(3S)-1-ethenyl-3-prop-2-ynoxycyclopentene has a molecular weight of 148.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethenyl-3-prop-2-ynoxycyclopentene is sourced from PubChem (CID 125475114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).