2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate

C19H16N2O3 — CID 66667174

IUPAC2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
SMILESC=C(C)COC(=O)c1c2ccccc2n2cc(OCC#N)ccc12
InChIInChI=1S/C19H16N2O3/c1-13(2)12-24-19(22)18-15-5-3-4-6-16(15)21-11-14(23-10-9-20)7-8-17(18)21/h3-8,11H,1,10,12H2,2H3
InChIKeyPHVWYNPGFIEHTL-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.73
Rot. Bonds5

About 2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate

2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667174) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Name2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
PubChem CID66667174
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
SMILESC=C(C)COC(=O)c1c2ccccc2n2cc(OCC#N)ccc12
InChIInChI=1S/C19H16N2O3/c1-13(2)12-24-19(22)18-15-5-3-4-6-16(15)21-11-14(23-10-9-20)7-8-17(18)21/h3-8,11H,1,10,12H2,2H3
InChIKeyPHVWYNPGFIEHTL-UHFFFAOYSA-N
XLogP3.73
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666595
(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666801
(3-chlorophenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667884
oct-3-yn-2-yl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667757
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
7-(1-cyanopropan-2-yloxy)pyrido[1,2-a]indole-10-carboxylic acid
CID 123477729
pentyl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667599
4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid
CID 69058213
propyl 7-(4-oxopentan-2-yloxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666986
ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56644234
2-hydroxybut-3-enyl 3-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66665871
2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate
CID 66667646

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of 2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate (CID 66667174) is 2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for 2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for 2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate is C=C(C)COC(=O)c1c2ccccc2n2cc(OCC#N)ccc12.
What is the InChIKey of 2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is PHVWYNPGFIEHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13(2)12-24-19(22)18-15-5-3-4-6-16(15)21-11-14(23-10-9-20)7-8-17(18)21/h3-8,11H,1,10,12H2,2H3.
What are the key properties of 2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate?
2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).