2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline

C10H13N3 — CID 70625315

IUPAC2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline
SMILESC1=c2cc[nH]c2=C2NCCNC2C1
InChIInChI=1S/C10H13N3/c1-2-8-10(13-6-5-11-8)9-7(1)3-4-12-9/h1,3-4,8,11-13H,2,5-6H2
InChIKeyMWJGPZIJPIOCQC-UHFFFAOYSA-N
MW175.24 g/mol
LogP-1.13
Rot. Bonds

About 2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline

2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline (PubChem CID 70625315) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline.

Molecular Properties

Compound Name2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline
PubChem CID70625315
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline
SMILESC1=c2cc[nH]c2=C2NCCNC2C1
InChIInChI=1S/C10H13N3/c1-2-8-10(13-6-5-11-8)9-7(1)3-4-12-9/h1,3-4,8,11-13H,2,5-6H2
InChIKeyMWJGPZIJPIOCQC-UHFFFAOYSA-N
XLogP-1.13
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline?
The IUPAC name of 2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline (CID 70625315) is 2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline.
What is the SMILES notation for 2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline?
The canonical SMILES for 2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline is C1=c2cc[nH]c2=C2NCCNC2C1.
What is the InChIKey of 2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline?
The InChIKey is MWJGPZIJPIOCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-8-10(13-6-5-11-8)9-7(1)3-4-12-9/h1,3-4,8,11-13H,2,5-6H2.
What are the key properties of 2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline?
2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline has a molecular weight of 175.24 g/mol, XLogP of -1.13, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,9-hexahydro-1H-pyrrolo[2,3-f]quinoxaline is sourced from PubChem (CID 70625315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).