1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane

C12H20 — CID 12714129

IUPAC1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane
SMILESCC1(C2CCC3(C)CC3C2)CC1
InChIInChI=1S/C12H20/c1-11(5-6-11)9-3-4-12(2)8-10(12)7-9/h9-10H,3-8H2,1-2H3
InChIKeyAPVSGKHVKVDFRG-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.61
Rot. Bonds1

About 1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane

1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane (PubChem CID 12714129) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane
PubChem CID12714129
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane
SMILESCC1(C2CCC3(C)CC3C2)CC1
InChIInChI=1S/C12H20/c1-11(5-6-11)9-3-4-12(2)8-10(12)7-9/h9-10H,3-8H2,1-2H3
InChIKeyAPVSGKHVKVDFRG-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane?
The IUPAC name of 1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane (CID 12714129) is 1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane?
The canonical SMILES for 1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane is CC1(C2CCC3(C)CC3C2)CC1.
What is the InChIKey of 1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane?
The InChIKey is APVSGKHVKVDFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-11(5-6-11)9-3-4-12(2)8-10(12)7-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane?
1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane has a molecular weight of 164.29 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylcyclopropyl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 12714129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).