2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]

C10H14 — CID 91139857

IUPAC2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
SMILESCC1CC12CC1C=CC2C1
InChIInChI=1S/C10H14/c1-7-5-10(7)6-8-2-3-9(10)4-8/h2-3,7-9H,4-6H2,1H3
InChIKeyLGNWXMXGMZUCJY-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.61
Rot. Bonds

About 2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]

2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane] (PubChem CID 91139857) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane].

Molecular Properties

Compound Name2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
PubChem CID91139857
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
SMILESCC1CC12CC1C=CC2C1
InChIInChI=1S/C10H14/c1-7-5-10(7)6-8-2-3-9(10)4-8/h2-3,7-9H,4-6H2,1H3
InChIKeyLGNWXMXGMZUCJY-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.61
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 2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]?
The IUPAC name of 2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane] (CID 91139857) is 2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane].
What is the SMILES notation for 2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]?
The canonical SMILES for 2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane] is CC1CC12CC1C=CC2C1.
What is the InChIKey of 2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]?
The InChIKey is LGNWXMXGMZUCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-7-5-10(7)6-8-2-3-9(10)4-8/h2-3,7-9H,4-6H2,1H3.
What are the key properties of 2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]?
2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane] has a molecular weight of 134.22 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane] is sourced from PubChem (CID 91139857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).