1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole

C14H16N2 — CID 70290535

IUPAC1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole
SMILESC1=CC2=NC3=C4CCNC4CCC3C2C=C1
InChIInChI=1S/C14H16N2/c1-2-4-13-9(3-1)10-5-6-12-11(7-8-15-12)14(10)16-13/h1-4,9-10,12,15H,5-8H2
InChIKeyUNRLHFXANQDDPV-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.21
Rot. Bonds

About 1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole

1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole (PubChem CID 70290535) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole
PubChem CID70290535
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole
SMILESC1=CC2=NC3=C4CCNC4CCC3C2C=C1
InChIInChI=1S/C14H16N2/c1-2-4-13-9(3-1)10-5-6-12-11(7-8-15-12)14(10)16-13/h1-4,9-10,12,15H,5-8H2
InChIKeyUNRLHFXANQDDPV-UHFFFAOYSA-N
XLogP2.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole?
The IUPAC name of 1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole (CID 70290535) is 1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole.
What is the SMILES notation for 1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole?
The canonical SMILES for 1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole is C1=CC2=NC3=C4CCNC4CCC3C2C=C1.
What is the InChIKey of 1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole?
The InChIKey is UNRLHFXANQDDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-4-13-9(3-1)10-5-6-12-11(7-8-15-12)14(10)16-13/h1-4,9-10,12,15H,5-8H2.
What are the key properties of 1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole?
1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole has a molecular weight of 212.30 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5,5a,5b-octahydropyrrolo[3,2-a]carbazole is sourced from PubChem (CID 70290535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).