1,5-dihydropyrrolo[3,2-b]azepine

C8H8N2 — CID 142049595

IUPAC1,5-dihydropyrrolo[3,2-b]azepine
SMILESC1=CCN=c2cc[nH]c2=C1
InChIInChI=1S/C8H8N2/c1-2-5-9-8-4-6-10-7(8)3-1/h1-4,6,10H,5H2
InChIKeyOMKHPUIDEPYEIO-UHFFFAOYSA-N
MW132.17 g/mol
LogP-0.02
Rot. Bonds

About 1,5-dihydropyrrolo[3,2-b]azepine

1,5-dihydropyrrolo[3,2-b]azepine (PubChem CID 142049595) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,5-dihydropyrrolo[3,2-b]azepine.

Molecular Properties

Compound Name1,5-dihydropyrrolo[3,2-b]azepine
PubChem CID142049595
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1,5-dihydropyrrolo[3,2-b]azepine
SMILESC1=CCN=c2cc[nH]c2=C1
InChIInChI=1S/C8H8N2/c1-2-5-9-8-4-6-10-7(8)3-1/h1-4,6,10H,5H2
InChIKeyOMKHPUIDEPYEIO-UHFFFAOYSA-N
XLogP-0.02
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methyl-7-(methylimino)-1,3,5-cycloheptatrien-1-amine
CID 939724
(6Z)-1H-Pyrrolo[2,3-d]azocine
CID 121232937
Pyrroloazocine
CID 137224559
Potassium propan-2-yl-(7-propan-2-ylazaniumylidenecyclohepta-1,3,5-trien-1-yl)azanide
CID 176421302
1,7-Dihydropyrrolo[3,2-c]azepine
CID 56997363
1,5-Dihydropyrrolo[2,3-c]azepine
CID 57325040
1H-cyclohepta[b]pyrazine
CID 68550528
5,5-dimethyl-1H-pyrrolo[3,2-b]azepine
CID 70309809
1-(4H-azepin-7-yl)-N-methylmethanamine
CID 91307733
1-methylidene-5,6-dihydro-4H-pyrrolo[3,2-b]azepin-1-ium
CID 123335311
3,8-Diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 129201220
2,6-dimethyl-8H-pyrido[2,3-c]azepine
CID 131966672

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrrolo[3,2-b]azepine?
The IUPAC name of 1,5-dihydropyrrolo[3,2-b]azepine (CID 142049595) is 1,5-dihydropyrrolo[3,2-b]azepine.
What is the SMILES notation for 1,5-dihydropyrrolo[3,2-b]azepine?
The canonical SMILES for 1,5-dihydropyrrolo[3,2-b]azepine is C1=CCN=c2cc[nH]c2=C1.
What is the InChIKey of 1,5-dihydropyrrolo[3,2-b]azepine?
The InChIKey is OMKHPUIDEPYEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-5-9-8-4-6-10-7(8)3-1/h1-4,6,10H,5H2.
What are the key properties of 1,5-dihydropyrrolo[3,2-b]azepine?
1,5-dihydropyrrolo[3,2-b]azepine has a molecular weight of 132.17 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrrolo[3,2-b]azepine is sourced from PubChem (CID 142049595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).