1-deuterio-2-(dicyclopropylmethylidene)cyclopropane

C10H14 — CID 165350111

IUPAC1-deuterio-2-(dicyclopropylmethylidene)cyclopropane
SMILES[2H]C1CC1=C(C1CC1)C1CC1
InChIInChI=1S/C10H14/c1-2-7(1)10(8-3-4-8)9-5-6-9/h7-8H,1-6H2/i5D
InChIKeyNHJTVIIYKMZSBP-UICOGKGYSA-N
MW135.23 g/mol
LogP2.90
Rot. Bonds2

About 1-deuterio-2-(dicyclopropylmethylidene)cyclopropane

1-deuterio-2-(dicyclopropylmethylidene)cyclopropane (PubChem CID 165350111) has the molecular formula C10H14 and a molecular weight of 135.23 g/mol. Its IUPAC name is 1-deuterio-2-(dicyclopropylmethylidene)cyclopropane.

Molecular Properties

Compound Name1-deuterio-2-(dicyclopropylmethylidene)cyclopropane
PubChem CID165350111
Molecular FormulaC10H14
Molecular Weight135.23 g/mol
Exact Mass135.12
IUPAC Name1-deuterio-2-(dicyclopropylmethylidene)cyclopropane
SMILES[2H]C1CC1=C(C1CC1)C1CC1
InChIInChI=1S/C10H14/c1-2-7(1)10(8-3-4-8)9-5-6-9/h7-8H,1-6H2/i5D
InChIKeyNHJTVIIYKMZSBP-UICOGKGYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 52.90
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-deuterio-2-(dicyclopropylmethylidene)cyclopropane?
The IUPAC name of 1-deuterio-2-(dicyclopropylmethylidene)cyclopropane (CID 165350111) is 1-deuterio-2-(dicyclopropylmethylidene)cyclopropane.
What is the SMILES notation for 1-deuterio-2-(dicyclopropylmethylidene)cyclopropane?
The canonical SMILES for 1-deuterio-2-(dicyclopropylmethylidene)cyclopropane is [2H]C1CC1=C(C1CC1)C1CC1.
What is the InChIKey of 1-deuterio-2-(dicyclopropylmethylidene)cyclopropane?
The InChIKey is NHJTVIIYKMZSBP-UICOGKGYSA-N. The full InChI is InChI=1S/C10H14/c1-2-7(1)10(8-3-4-8)9-5-6-9/h7-8H,1-6H2/i5D.
What are the key properties of 1-deuterio-2-(dicyclopropylmethylidene)cyclopropane?
1-deuterio-2-(dicyclopropylmethylidene)cyclopropane has a molecular weight of 135.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2-(dicyclopropylmethylidene)cyclopropane is sourced from PubChem (CID 165350111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).