ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane

C13H19N2P — CID 91258224

IUPACethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane
SMILESCC.PN1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C11H13N2P.C2H6/c14-13-6-5-11-9(7-13)8-3-1-2-4-10(8)12-11;1-2/h1-4,12H,5-7,14H2;1-2H3
InChIKeyVLODMGQDLNUYNX-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.34
Rot. Bonds

About ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane

ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane (PubChem CID 91258224) has the molecular formula C13H19N2P and a molecular weight of 234.28 g/mol. Its IUPAC name is ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane.

Molecular Properties

Compound Nameethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane
PubChem CID91258224
Molecular FormulaC13H19N2P
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Nameethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane
SMILESCC.PN1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C11H13N2P.C2H6/c14-13-6-5-11-9(7-13)8-3-1-2-4-10(8)12-11;1-2/h1-4,12H,5-7,14H2;1-2H3
InChIKeyVLODMGQDLNUYNX-UHFFFAOYSA-N
XLogP3.34
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-ylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 61355681
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
N-(diaminomethylidene)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 59626459
11-methyl-11,15-diazatetracyclo[12.7.0.03,8.016,21]henicosa-1(14),3,5,7,16,18,20-heptaene
CID 45379370
2-methyl-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole;molecular hydrogen
CID 143420706
ethane;2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 156709486
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexan-1-one
CID 36804449
2-methyl-5-[(1R)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3,4-oxadiazole
CID 95313365
[4-(1-hydroxyethyl)phenyl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 172895192

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane?
The IUPAC name of ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane (CID 91258224) is ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane.
What is the SMILES notation for ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane?
The canonical SMILES for ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane is CC.PN1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane?
The InChIKey is VLODMGQDLNUYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2P.C2H6/c14-13-6-5-11-9(7-13)8-3-1-2-4-10(8)12-11;1-2/h1-4,12H,5-7,14H2;1-2H3.
What are the key properties of ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane?
ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane has a molecular weight of 234.28 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylphosphane is sourced from PubChem (CID 91258224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).