ethane;isoquinolin-3-ylphosphane

C11H14NP — CID 167500281

IUPACethane;isoquinolin-3-ylphosphane
SMILESCC.Pc1cc2ccccc2cn1
InChIInChI=1S/C9H8NP.C2H6/c11-9-5-7-3-1-2-4-8(7)6-10-9;1-2/h1-6H,11H2;1-2H3
InChIKeyBGINXLSIBCLAQQ-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.76
Rot. Bonds

About ethane;isoquinolin-3-ylphosphane

ethane;isoquinolin-3-ylphosphane (PubChem CID 167500281) has the molecular formula C11H14NP and a molecular weight of 191.21 g/mol. Its IUPAC name is ethane;isoquinolin-3-ylphosphane.

Molecular Properties

Compound Nameethane;isoquinolin-3-ylphosphane
PubChem CID167500281
Molecular FormulaC11H14NP
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Nameethane;isoquinolin-3-ylphosphane
SMILESCC.Pc1cc2ccccc2cn1
InChIInChI=1S/C9H8NP.C2H6/c11-9-5-7-3-1-2-4-8(7)6-10-9;1-2/h1-6H,11H2;1-2H3
InChIKeyBGINXLSIBCLAQQ-UHFFFAOYSA-N
XLogP2.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbutan-2-yl)isoquinoline
CID 176748881
N-methylisoquinolin-3-amine
CID 24976745
anthracene;ethane;naphthalene
CID 159079166
ethane;pentacene
CID 91470616
(1R)-1-isoquinolin-3-ylethanamine
CID 131033550
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
3-(5-methyl-2-pyridinyl)isoquinoline
CID 58382619
N-isoquinolin-3-ylhydroxylamine
CID 119089500
3-(difluoromethyl)isoquinoline
CID 90766283
4-isoquinolin-3-ylphenol;tetrahydrochloride
CID 140752997
1-isoquinolin-3-yl-N-methylethanimine
CID 162729378
3-tert-butylisoquinoline;2,2-dimethylpropane;ethane;pyridine
CID 159668510

Frequently Asked Questions

What is the IUPAC name of ethane;isoquinolin-3-ylphosphane?
The IUPAC name of ethane;isoquinolin-3-ylphosphane (CID 167500281) is ethane;isoquinolin-3-ylphosphane.
What is the SMILES notation for ethane;isoquinolin-3-ylphosphane?
The canonical SMILES for ethane;isoquinolin-3-ylphosphane is CC.Pc1cc2ccccc2cn1.
What is the InChIKey of ethane;isoquinolin-3-ylphosphane?
The InChIKey is BGINXLSIBCLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NP.C2H6/c11-9-5-7-3-1-2-4-8(7)6-10-9;1-2/h1-6H,11H2;1-2H3.
What are the key properties of ethane;isoquinolin-3-ylphosphane?
ethane;isoquinolin-3-ylphosphane has a molecular weight of 191.21 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;isoquinolin-3-ylphosphane is sourced from PubChem (CID 167500281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).