1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole

C25H20N2 — CID 19815767

IUPAC1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole
SMILESCc1ccc2cc3cc[nH]c3c-2cc1.c1ccc2cc3cc[nH]c3c-2cc1
InChIInChI=1S/C13H11N.C12H9N/c1-9-2-4-10-8-11-6-7-14-13(11)12(10)5-3-9;1-2-4-9-8-10-6-7-13-12(10)11(9)5-3-1/h2-8,14H,1H3;1-8,13H
InChIKeyCQXCUACPZBQMBB-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.85
Rot. Bonds

About 1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole

1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole (PubChem CID 19815767) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole.

Molecular Properties

Compound Name1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole
PubChem CID19815767
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole
SMILESCc1ccc2cc3cc[nH]c3c-2cc1.c1ccc2cc3cc[nH]c3c-2cc1
InChIInChI=1S/C13H11N.C12H9N/c1-9-2-4-10-8-11-6-7-14-13(11)12(10)5-3-9;1-2-4-9-8-10-6-7-13-12(10)11(9)5-3-1/h2-8,14H,1H3;1-8,13H
InChIKeyCQXCUACPZBQMBB-UHFFFAOYSA-N
XLogP6.85
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 155763940
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
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CID 158890209
2-iodo-4-(2-methylphenyl)-1-phenylbenzene
CID 170132192
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole
CID 164566293
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CID 59171665

Frequently Asked Questions

What is the IUPAC name of 1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole?
The IUPAC name of 1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole (CID 19815767) is 1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole.
What is the SMILES notation for 1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole?
The canonical SMILES for 1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole is Cc1ccc2cc3cc[nH]c3c-2cc1.c1ccc2cc3cc[nH]c3c-2cc1.
What is the InChIKey of 1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole?
The InChIKey is CQXCUACPZBQMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N.C12H9N/c1-9-2-4-10-8-11-6-7-14-13(11)12(10)5-3-9;1-2-4-9-8-10-6-7-13-12(10)11(9)5-3-1/h2-8,14H,1H3;1-8,13H.
What are the key properties of 1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole?
1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole has a molecular weight of 348.45 g/mol, XLogP of 6.85, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azuleno[1,2-b]pyrrole;7-methyl-1H-azuleno[1,2-b]pyrrole is sourced from PubChem (CID 19815767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).