6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene

C12H12O — CID 70311228

IUPAC6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene
SMILESC=Cc1ccc2c(c1)C1CC1CO2
InChIInChI=1S/C12H12O/c1-2-8-3-4-12-11(5-8)10-6-9(10)7-13-12/h2-5,9-10H,1,6-7H2
InChIKeyHGJLKBMCSWGWNM-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.83
Rot. Bonds1

About 6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene

6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene (PubChem CID 70311228) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene.

Molecular Properties

Compound Name6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene
PubChem CID70311228
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene
SMILESC=Cc1ccc2c(c1)C1CC1CO2
InChIInChI=1S/C12H12O/c1-2-8-3-4-12-11(5-8)10-6-9(10)7-13-12/h2-5,9-10H,1,6-7H2
InChIKeyHGJLKBMCSWGWNM-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene?
The IUPAC name of 6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene (CID 70311228) is 6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene.
What is the SMILES notation for 6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene?
The canonical SMILES for 6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene is C=Cc1ccc2c(c1)C1CC1CO2.
What is the InChIKey of 6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene?
The InChIKey is HGJLKBMCSWGWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-8-3-4-12-11(5-8)10-6-9(10)7-13-12/h2-5,9-10H,1,6-7H2.
What are the key properties of 6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene?
6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene has a molecular weight of 172.23 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,1a,2,7b-tetrahydrocyclopropa[c]chromene is sourced from PubChem (CID 70311228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).