2-methylpropylcyclopropane

C7H14 — CID 524669

IUPAC2-methylpropylcyclopropane
SMILESCC(C)CC1CC1
InChIInChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyXIMCWSMVGVJQQN-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds2

About 2-methylpropylcyclopropane

2-methylpropylcyclopropane (PubChem CID 524669) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 2-methylpropylcyclopropane.

Molecular Properties

Compound Name2-methylpropylcyclopropane
PubChem CID524669
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name2-methylpropylcyclopropane
SMILESCC(C)CC1CC1
InChIInChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyXIMCWSMVGVJQQN-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropylcyclopropane?
The IUPAC name of 2-methylpropylcyclopropane (CID 524669) is 2-methylpropylcyclopropane.
What is the SMILES notation for 2-methylpropylcyclopropane?
The canonical SMILES for 2-methylpropylcyclopropane is CC(C)CC1CC1.
What is the InChIKey of 2-methylpropylcyclopropane?
The InChIKey is XIMCWSMVGVJQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-methylpropylcyclopropane?
2-methylpropylcyclopropane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylcyclopropane is sourced from PubChem (CID 524669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).