(3E)-3-propylidenetricyclo[3.2.0.01,6]heptane

C10H14 — CID 163943619

IUPAC(3E)-3-propylidenetricyclo[3.2.0.01,6]heptane
SMILESCC/C=C1\CC2C3CC23C1
InChIInChI=1S/C10H14/c1-2-3-7-4-8-9-6-10(8,9)5-7/h3,8-9H,2,4-6H2,1H3/b7-3+
InChIKeyRTEMQAWFIDAILM-XVNBXDOJSA-N
MW134.22 g/mol
LogP2.75
Rot. Bonds1

About (3E)-3-propylidenetricyclo[3.2.0.01,6]heptane

(3E)-3-propylidenetricyclo[3.2.0.01,6]heptane (PubChem CID 163943619) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (3E)-3-propylidenetricyclo[3.2.0.01,6]heptane.

Molecular Properties

Compound Name(3E)-3-propylidenetricyclo[3.2.0.01,6]heptane
PubChem CID163943619
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(3E)-3-propylidenetricyclo[3.2.0.01,6]heptane
SMILESCC/C=C1\CC2C3CC23C1
InChIInChI=1S/C10H14/c1-2-3-7-4-8-9-6-10(8,9)5-7/h3,8-9H,2,4-6H2,1H3/b7-3+
InChIKeyRTEMQAWFIDAILM-XVNBXDOJSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-propylidenetricyclo[3.2.0.01,6]heptane?
The IUPAC name of (3E)-3-propylidenetricyclo[3.2.0.01,6]heptane (CID 163943619) is (3E)-3-propylidenetricyclo[3.2.0.01,6]heptane.
What is the SMILES notation for (3E)-3-propylidenetricyclo[3.2.0.01,6]heptane?
The canonical SMILES for (3E)-3-propylidenetricyclo[3.2.0.01,6]heptane is CC/C=C1\CC2C3CC23C1.
What is the InChIKey of (3E)-3-propylidenetricyclo[3.2.0.01,6]heptane?
The InChIKey is RTEMQAWFIDAILM-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-7-4-8-9-6-10(8,9)5-7/h3,8-9H,2,4-6H2,1H3/b7-3+.
What are the key properties of (3E)-3-propylidenetricyclo[3.2.0.01,6]heptane?
(3E)-3-propylidenetricyclo[3.2.0.01,6]heptane has a molecular weight of 134.22 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-propylidenetricyclo[3.2.0.01,6]heptane is sourced from PubChem (CID 163943619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).