(5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine

C9H12N2 — CID 177251607

IUPAC(5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine
SMILESC1=C\Cc2cc[nH]c2CNC/1
InChIInChI=1S/C9H12N2/c1-2-5-10-7-9-8(3-1)4-6-11-9/h1-2,4,6,10-11H,3,5,7H2/b2-1-
InChIKeyAXKYMMJGHDJZAA-UPHRSURJSA-N
MW148.21 g/mol
LogP1.22
Rot. Bonds

About (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine

(5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine (PubChem CID 177251607) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine.

Molecular Properties

Compound Name(5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine
PubChem CID177251607
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine
SMILESC1=C\Cc2cc[nH]c2CNC/1
InChIInChI=1S/C9H12N2/c1-2-5-10-7-9-8(3-1)4-6-11-9/h1-2,4,6,10-11H,3,5,7H2/b2-1-
InChIKeyAXKYMMJGHDJZAA-UPHRSURJSA-N
XLogP1.22
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepine
CID 58443090
4,7-dihydro-1H-indole;3H-indole
CID 165098616
2,5-dihydrocyclohepta[c]pyridin-1-one
CID 143158045
6,6-dimethyl-1,4,5,7-tetrahydropyrrolo[3,2-c]pyridine
CID 155896448
2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine
CID 158570723
6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine
CID 143582940
4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]azepin-8-one
CID 82417488
4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[3,2-g]isoquinoline
CID 18936213
2,3,4,7-tetrahydro-1H-isoindole
CID 22759505
(8Z)-2,4,5,6,7,10-hexahydro-1H-1,5-diazecin-3-one
CID 126662671
5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 70258346
5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole
CID 130260798

Frequently Asked Questions

What is the IUPAC name of (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine?
The IUPAC name of (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine (CID 177251607) is (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine.
What is the SMILES notation for (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine?
The canonical SMILES for (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine is C1=C\Cc2cc[nH]c2CNC/1.
What is the InChIKey of (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine?
The InChIKey is AXKYMMJGHDJZAA-UPHRSURJSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-5-10-7-9-8(3-1)4-6-11-9/h1-2,4,6,10-11H,3,5,7H2/b2-1-.
What are the key properties of (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine?
(5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine has a molecular weight of 148.21 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine is sourced from PubChem (CID 177251607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).