n-Butylbicyclopro-pylidene

C10H16 — CID 129653472

IUPAC1-butyl-2-cyclopropylidenecyclopropane
SMILESCCCCC1CC1=C2CC2
InChIInChI=1S/C10H16/c1-2-3-4-9-7-10(9)8-5-6-8/h9H,2-7H2,1H3
InChIKeyYDCVVBZKXXVXGT-UHFFFAOYSA-N
MW136.23 g/mol
LogP2.70
Rot. Bonds3

About n-Butylbicyclopro-pylidene

n-Butylbicyclopro-pylidene (PubChem CID 129653472) has the molecular formula C10H16 and a molecular weight of 136.23 g/mol. Its IUPAC name is 1-butyl-2-cyclopropylidenecyclopropane.

Molecular Properties

Compound Namen-Butylbicyclopro-pylidene
PubChem CID129653472
Molecular FormulaC10H16
Molecular Weight136.23 g/mol
Exact Mass136.13
IUPAC Name1-butyl-2-cyclopropylidenecyclopropane
SMILESCCCCC1CC1=C2CC2
InChIInChI=1S/C10H16/c1-2-3-4-9-7-10(9)8-5-6-8/h9H,2-7H2,1H3
InChIKeyYDCVVBZKXXVXGT-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity159

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.23
LogP ≤ 52.70
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 n-Butylbicyclopro-pylidene?
The IUPAC name of n-Butylbicyclopro-pylidene (CID 129653472) is 1-butyl-2-cyclopropylidenecyclopropane.
What is the SMILES notation for n-Butylbicyclopro-pylidene?
The canonical SMILES for n-Butylbicyclopro-pylidene is CCCCC1CC1=C2CC2.
What is the InChIKey of n-Butylbicyclopro-pylidene?
The InChIKey is YDCVVBZKXXVXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-3-4-9-7-10(9)8-5-6-8/h9H,2-7H2,1H3.
What are the key properties of n-Butylbicyclopro-pylidene?
n-Butylbicyclopro-pylidene has a molecular weight of 136.23 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for n-Butylbicyclopro-pylidene is sourced from PubChem (CID 129653472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).