prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate

C16H13NO3 — CID 66667210

IUPACprop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate
SMILESC=CCOC(=O)c1c2ccccc2n2cc(O)ccc12
InChIInChI=1S/C16H13NO3/c1-2-9-20-16(19)15-12-5-3-4-6-13(12)17-10-11(18)7-8-14(15)17/h2-8,10,18H,1,9H2
InChIKeyGUIMZKDVYQLIDU-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.14
Rot. Bonds3

About prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate

prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667210) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate
PubChem CID66667210
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Nameprop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate
SMILESC=CCOC(=O)c1c2ccccc2n2cc(O)ccc12
InChIInChI=1S/C16H13NO3/c1-2-9-20-16(19)15-12-5-3-4-6-13(12)17-10-11(18)7-8-14(15)17/h2-8,10,18H,1,9H2
InChIKeyGUIMZKDVYQLIDU-UHFFFAOYSA-N
XLogP3.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 1-[4,7-dioxo-7-(3-prop-2-enoxycarbonylindol-1-yl)heptanoyl]indole-3-carboxylate
CID 102585403
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
CID 54737721
ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
CID 66667458
N,N-dimethyl-2-(7-methylsulfinylpyrido[1,2-a]indole-10-carbonyl)oxyethanamine oxide
CID 87097296
bis(prop-2-enyl) naphthalene-1,2-dicarboxylate
CID 19710369
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667573
2-methylprop-2-enyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66667174
4-[(10-ethoxycarbonylpyrido[1,2-a]indol-7-yl)oxymethyl]benzoic acid
CID 69058213
2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate
CID 66667646
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
(4-methylphenyl)methyl 7-(cyanomethoxy)pyrido[1,2-a]indole-10-carboxylate
CID 66666801

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate (CID 66667210) is prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate is C=CCOC(=O)c1c2ccccc2n2cc(O)ccc12.
What is the InChIKey of prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate?
The InChIKey is GUIMZKDVYQLIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-9-20-16(19)15-12-5-3-4-6-13(12)17-10-11(18)7-8-14(15)17/h2-8,10,18H,1,9H2.
What are the key properties of prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate?
prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 7-hydroxypyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).