cyclohepta[b]pyran

C10H8O — CID 21477271

IUPACcyclohepta[b]pyran
SMILESC1=CC=C2OC=CC=C2C=C1
InChIInChI=1S/C10H8O/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-8H
InChIKeyVZXFWKBBGXECNB-UHFFFAOYSA-N
MW144.17 g/mol
LogP2.47
Rot. Bonds

About cyclohepta[b]pyran

cyclohepta[b]pyran (PubChem CID 21477271) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is cyclohepta[b]pyran.

Molecular Properties

Compound Namecyclohepta[b]pyran
PubChem CID21477271
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Namecyclohepta[b]pyran
SMILESC1=CC=C2OC=CC=C2C=C1
InChIInChI=1S/C10H8O/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-8H
InChIKeyVZXFWKBBGXECNB-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
3H-isochromene
CID 9548821
3-Methoxycyclohepta-1,3,5-triene
CID 12570344
Lithium 1-methoxy-4-methylbenzene-6-ide
CID 10887914
Magnesium bromide 4-methoxy-2-methylbenzen-1-ide (1/1/1)
CID 10933159
Lithium 1-methoxy-3-methylbenzene-4-ide
CID 14790499
Lithium 1-methoxy-3,5-dimethylbenzene-4-ide
CID 14943724
2,2-Dimethyl-2h-pyran
CID 15446431
Benzo[b]pyran
CID 18378161
5-Methyl-oxine
CID 18410493
Dibenzo[b,d]pyran
CID 19702209
7,7a-Dihydrobenzofuran
CID 19744327

Frequently Asked Questions

What is the IUPAC name of cyclohepta[b]pyran?
The IUPAC name of cyclohepta[b]pyran (CID 21477271) is cyclohepta[b]pyran.
What is the SMILES notation for cyclohepta[b]pyran?
The canonical SMILES for cyclohepta[b]pyran is C1=CC=C2OC=CC=C2C=C1.
What is the InChIKey of cyclohepta[b]pyran?
The InChIKey is VZXFWKBBGXECNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-8H.
What are the key properties of cyclohepta[b]pyran?
cyclohepta[b]pyran has a molecular weight of 144.17 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[b]pyran is sourced from PubChem (CID 21477271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).