1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine

C16H21N — CID 70375053

IUPAC1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine
SMILESC1=CC2=C3CCCN3C3CCCCC3C2C=C1
InChIInChI=1S/C16H21N/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-11-5-10-16(14)17/h1-2,6-7,12-13,15H,3-5,8-11H2
InChIKeyXTYAXXKSALOXHG-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.65
Rot. Bonds

About 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine

1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine (PubChem CID 70375053) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine.

Molecular Properties

Compound Name1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine
PubChem CID70375053
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine
SMILESC1=CC2=C3CCCN3C3CCCCC3C2C=C1
InChIInChI=1S/C16H21N/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-11-5-10-16(14)17/h1-2,6-7,12-13,15H,3-5,8-11H2
InChIKeyXTYAXXKSALOXHG-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine with MolForge

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Related Compounds

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CID 129871256
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11,11a,12,12a,13,13a-hexahydro-4aH-indolo[2,1-b][3]benzazepine
CID 21887253
15-Propyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
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15-Prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
CID 67911087
15-Methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
CID 67911101
1,2,3,5,6,6a,7,8-Octahydropyrrolo[2,1-a]isoquinoline
CID 69181946
9-Ethyl-1,2,3,4,4a,4b,8a,9a-octahydrocarbazole
CID 69282467
6-Pentyl-1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinoline
CID 70359979
9-Methyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole
CID 70569226
9-Ethyl-1,2,3,4,4a,4b,5,9a-octahydrocarbazole
CID 70571088
5-Ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine?
The IUPAC name of 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine (CID 70375053) is 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine.
What is the SMILES notation for 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine?
The canonical SMILES for 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine is C1=CC2=C3CCCN3C3CCCCC3C2C=C1.
What is the InChIKey of 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine?
The InChIKey is XTYAXXKSALOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-11-5-10-16(14)17/h1-2,6-7,12-13,15H,3-5,8-11H2.
What are the key properties of 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine?
1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine has a molecular weight of 227.35 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4a,5,6,7,8,8a,8b-decahydropyrrolo[1,2-f]phenanthridine is sourced from PubChem (CID 70375053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).