1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane

C18H25N2OP — CID 168879430

IUPAC1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane
SMILESC=C(C)P.C=CC1(C)NCCc2c1[nH]c1ccc(OC)cc21
InChIInChI=1S/C15H18N2O.C3H7P/c1-4-15(2)14-11(7-8-16-15)12-9-10(18-3)5-6-13(12)17-14;1-3(2)4/h4-6,9,16-17H,1,7-8H2,2-3H3;1,4H2,2H3
InChIKeyLBSCGKWHEFKAKO-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.12
Rot. Bonds2

About 1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane

1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane (PubChem CID 168879430) has the molecular formula C18H25N2OP and a molecular weight of 316.39 g/mol. Its IUPAC name is 1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane.

Molecular Properties

Compound Name1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane
PubChem CID168879430
Molecular FormulaC18H25N2OP
Molecular Weight316.39 g/mol
Exact Mass316.17
IUPAC Name1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane
SMILESC=C(C)P.C=CC1(C)NCCc2c1[nH]c1ccc(OC)cc21
InChIInChI=1S/C15H18N2O.C3H7P/c1-4-15(2)14-11(7-8-16-15)12-9-10(18-3)5-6-13(12)17-14;1-3(2)4/h4-6,9,16-17H,1,7-8H2,2-3H3;1,4H2,2H3
InChIKeyLBSCGKWHEFKAKO-UHFFFAOYSA-N
XLogP4.12
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 17339270
6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
CID 84742547
methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
CID 54177477
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
1-[2-(6-chloro-3-pyridinyl)ethyl]-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3557023
(2-ethylpyrazol-3-yl)-(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 110197644
1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-pyrrolidine]
CID 162650712
1-[(4-methoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 11792145
1'-(furan-2-ylmethyl)-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 162661075
(2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide
CID 134949218
1'-[(3-chloro-2,6-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 162670826
6-methoxy-1'-[2-(3-methoxyphenoxy)ethyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-pyrrolidine]
CID 11429696

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane?
The IUPAC name of 1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane (CID 168879430) is 1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane.
What is the SMILES notation for 1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane?
The canonical SMILES for 1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane is C=C(C)P.C=CC1(C)NCCc2c1[nH]c1ccc(OC)cc21.
What is the InChIKey of 1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane?
The InChIKey is LBSCGKWHEFKAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.C3H7P/c1-4-15(2)14-11(7-8-16-15)12-9-10(18-3)5-6-13(12)17-14;1-3(2)4/h4-6,9,16-17H,1,7-8H2,2-3H3;1,4H2,2H3.
What are the key properties of 1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane?
1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane has a molecular weight of 316.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane is sourced from PubChem (CID 168879430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).