1H-pyrrolo[2,3-d]azocine

C9H8N2 — CID 71361481

IUPAC1H-pyrrolo[2,3-d]azocine
SMILESC1=C/N=C\C=c2[nH]ccc2=C1
InChIInChI=1S/C9H8N2/c1-2-8-3-7-11-9(8)4-6-10-5-1/h1-7,11H/b2-1?,5-1?,6-4?,8-2?,9-4?,10-5?,10-6-
InChIKeyLHVDBYUBKHUSBF-RVZNRWECSA-N
MW144.18 g/mol
LogP0.17
Rot. Bonds

About 1H-pyrrolo[2,3-d]azocine

1H-pyrrolo[2,3-d]azocine (PubChem CID 71361481) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-d]azocine.

Molecular Properties

Compound Name1H-pyrrolo[2,3-d]azocine
PubChem CID71361481
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name1H-pyrrolo[2,3-d]azocine
SMILESC1=C/N=C\C=c2[nH]ccc2=C1
InChIInChI=1S/C9H8N2/c1-2-8-3-7-11-9(8)4-6-10-5-1/h1-7,11H/b2-1?,5-1?,6-4?,8-2?,9-4?,10-5?,10-6-
InChIKeyLHVDBYUBKHUSBF-RVZNRWECSA-N
XLogP0.17
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,5-dihydrocyclohepta[b]pyrrole;ethane;molecular hydrogen
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5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane
CID 143593388
(7Z)-azocine
CID 66692791
1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
CID 71360552
7-methyl-1,7-dihydropyrrolo[3,2-b]azepine
CID 137252694
6-bromo-5,6-dihydro-1H-indole
CID 118899465
3-methyl-4-prop-1-en-2-yl-3H-azepine
CID 163927848
5-iodo-5-methyl-1,6-dihydroindole
CID 71170652
1,3-oxazepin-7-ol
CID 151905580
5-tert-butyl-5-methyl-1,6-dihydroindole
CID 143722816
1,6-dihydropyrrolo[3,2-b]pyridin-5-one
CID 137253734

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-d]azocine?
The IUPAC name of 1H-pyrrolo[2,3-d]azocine (CID 71361481) is 1H-pyrrolo[2,3-d]azocine.
What is the SMILES notation for 1H-pyrrolo[2,3-d]azocine?
The canonical SMILES for 1H-pyrrolo[2,3-d]azocine is C1=C/N=C\C=c2[nH]ccc2=C1.
What is the InChIKey of 1H-pyrrolo[2,3-d]azocine?
The InChIKey is LHVDBYUBKHUSBF-RVZNRWECSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-8-3-7-11-9(8)4-6-10-5-1/h1-7,11H/b2-1?,5-1?,6-4?,8-2?,9-4?,10-5?,10-6-.
What are the key properties of 1H-pyrrolo[2,3-d]azocine?
1H-pyrrolo[2,3-d]azocine has a molecular weight of 144.18 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-d]azocine is sourced from PubChem (CID 71361481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).