1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene

C10H16 — CID 123701267

IUPAC1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene
SMILESCC(C)C1(C)C=C1C1CC1
InChIInChI=1S/C10H16/c1-7(2)10(3)6-9(10)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyXQTGKMPMPFIRPR-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds2

About 1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene

1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene (PubChem CID 123701267) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene
PubChem CID123701267
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene
SMILESCC(C)C1(C)C=C1C1CC1
InChIInChI=1S/C10H16/c1-7(2)10(3)6-9(10)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyXQTGKMPMPFIRPR-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
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 1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene?
The IUPAC name of 1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene (CID 123701267) is 1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene.
What is the SMILES notation for 1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene?
The canonical SMILES for 1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene is CC(C)C1(C)C=C1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene?
The InChIKey is XQTGKMPMPFIRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7(2)10(3)6-9(10)8-4-5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene?
1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene has a molecular weight of 136.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-3-propan-2-ylcyclopropene is sourced from PubChem (CID 123701267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).