2-(1H-diazirin-3-yl)-1H-indole

C9H7N3 — CID 137250152

IUPAC2-(1H-diazirin-3-yl)-1H-indole
SMILESc1ccc2[nH]c(C3=NN3)cc2c1
InChIInChI=1S/C9H7N3/c1-2-4-7-6(3-1)5-8(10-7)9-11-12-9/h1-5,10H,(H,11,12)
InChIKeyAQTROBUKYVDVKL-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.43
Rot. Bonds1

About 2-(1H-diazirin-3-yl)-1H-indole

2-(1H-diazirin-3-yl)-1H-indole (PubChem CID 137250152) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-(1H-diazirin-3-yl)-1H-indole.

Molecular Properties

Compound Name2-(1H-diazirin-3-yl)-1H-indole
PubChem CID137250152
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name2-(1H-diazirin-3-yl)-1H-indole
SMILESc1ccc2[nH]c(C3=NN3)cc2c1
InChIInChI=1S/C9H7N3/c1-2-4-7-6(3-1)5-8(10-7)9-11-12-9/h1-5,10H,(H,11,12)
InChIKeyAQTROBUKYVDVKL-UHFFFAOYSA-N
XLogP1.43
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
CID 141030381
2-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 69186852
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
2-[(1Z,3Z,5Z,7Z)-2-(1H-indol-2-yl)cycloocta-1,3,5,7-tetraen-1-yl]-1H-indole
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5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole
CID 132521621
2-(5-chlorothiophen-2-yl)-1H-indole
CID 56687027
2-pyridin-3-yl-1H-indole
CID 606677
CID 87602032
CID 87602032
2-(2-iodophenyl)-1H-indole
CID 12996175
4-(1H-indol-2-yl)phenol
CID 11287260
2-(1H-indol-2-yl)-1,3-oxazole
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2-(1,2,4-triazin-3-yl)-1H-indole
CID 150191533

Frequently Asked Questions

What is the IUPAC name of 2-(1H-diazirin-3-yl)-1H-indole?
The IUPAC name of 2-(1H-diazirin-3-yl)-1H-indole (CID 137250152) is 2-(1H-diazirin-3-yl)-1H-indole.
What is the SMILES notation for 2-(1H-diazirin-3-yl)-1H-indole?
The canonical SMILES for 2-(1H-diazirin-3-yl)-1H-indole is c1ccc2[nH]c(C3=NN3)cc2c1.
What is the InChIKey of 2-(1H-diazirin-3-yl)-1H-indole?
The InChIKey is AQTROBUKYVDVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-2-4-7-6(3-1)5-8(10-7)9-11-12-9/h1-5,10H,(H,11,12).
What are the key properties of 2-(1H-diazirin-3-yl)-1H-indole?
2-(1H-diazirin-3-yl)-1H-indole has a molecular weight of 157.18 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-diazirin-3-yl)-1H-indole is sourced from PubChem (CID 137250152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).