1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene

C10H12O — CID 143852066

IUPAC1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene
SMILESC1=CC2CC2C2=C1OCCC2
InChIInChI=1S/C10H12O/c1-2-8-9-6-7(9)3-4-10(8)11-5-1/h3-4,7,9H,1-2,5-6H2
InChIKeyUZZKLTBQRJUKIU-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.26
Rot. Bonds

About 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene

1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene (PubChem CID 143852066) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene.

Molecular Properties

Compound Name1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene
PubChem CID143852066
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene
SMILESC1=CC2CC2C2=C1OCCC2
InChIInChI=1S/C10H12O/c1-2-8-9-6-7(9)3-4-10(8)11-5-1/h3-4,7,9H,1-2,5-6H2
InChIKeyUZZKLTBQRJUKIU-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene?
The IUPAC name of 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene (CID 143852066) is 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene.
What is the SMILES notation for 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene?
The canonical SMILES for 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene is C1=CC2CC2C2=C1OCCC2.
What is the InChIKey of 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene?
The InChIKey is UZZKLTBQRJUKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-8-9-6-7(9)3-4-10(8)11-5-1/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene?
1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene has a molecular weight of 148.20 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1a,5,6,7,7b-hexahydrocyclopropa[f]chromene is sourced from PubChem (CID 143852066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).