pyrano[3,4-f]indole

C11H7NO — CID 140984959

IUPACpyrano[3,4-f]indole
SMILESc1cc2cc3coccc3cc2n1
InChIInChI=1S/C11H7NO/c1-3-12-11-6-8-2-4-13-7-10(8)5-9(1)11/h1-7H
InChIKeyJXNTZVBKVZBCRJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.98
Rot. Bonds

About pyrano[3,4-f]indole

pyrano[3,4-f]indole (PubChem CID 140984959) has the molecular formula C11H7NO and a molecular weight of 169.18 g/mol. Its IUPAC name is pyrano[3,4-f]indole.

Molecular Properties

Compound Namepyrano[3,4-f]indole
PubChem CID140984959
Molecular FormulaC11H7NO
Molecular Weight169.18 g/mol
Exact Mass169.05
IUPAC Namepyrano[3,4-f]indole
SMILESc1cc2cc3coccc3cc2n1
InChIInChI=1S/C11H7NO/c1-3-12-11-6-8-2-4-13-7-10(8)5-9(1)11/h1-7H
InChIKeyJXNTZVBKVZBCRJ-UHFFFAOYSA-N
XLogP2.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2H-3,1-Benzoxazine
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Oxazolo-[3,2-c]quinazolin-5-one
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Pyranoindole
CID 22236607
3,1-Benzooxazine hydrochloride
CID 68804172
Oxazinoisoindole
CID 129674962
Oxazolo[2,3-c][1,4]benzodiazepine
CID 57469474
3,1-Benzoxazine hydrobromide
CID 129814186
Azolo[1,3]benzoxazine
CID 129872187
4,1-Benzoxazepine;hydrochloride
CID 20307233
8H-pyrido[2,3-h][1,4]benzoxazine
CID 21094332
7-Oxa-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene
CID 21886862

Frequently Asked Questions

What is the IUPAC name of pyrano[3,4-f]indole?
The IUPAC name of pyrano[3,4-f]indole (CID 140984959) is pyrano[3,4-f]indole.
What is the SMILES notation for pyrano[3,4-f]indole?
The canonical SMILES for pyrano[3,4-f]indole is c1cc2cc3coccc3cc2n1.
What is the InChIKey of pyrano[3,4-f]indole?
The InChIKey is JXNTZVBKVZBCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO/c1-3-12-11-6-8-2-4-13-7-10(8)5-9(1)11/h1-7H.
What are the key properties of pyrano[3,4-f]indole?
pyrano[3,4-f]indole has a molecular weight of 169.18 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[3,4-f]indole is sourced from PubChem (CID 140984959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).