methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate

C14H15NO3 — CID 101259134

IUPACmethyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate
SMILESC/C=C/c1c(C(=O)OC)c2ccccc2n1OC
InChIInChI=1S/C14H15NO3/c1-4-7-12-13(14(16)17-2)10-8-5-6-9-11(10)15(12)18-3/h4-9H,1-3H3/b7-4+
InChIKeyOPEFROVXKILKAD-QPJJXVBHSA-N
MW245.28 g/mol
LogP2.52
Rot. Bonds3

About methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate

methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate (PubChem CID 101259134) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate
PubChem CID101259134
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate
SMILESC/C=C/c1c(C(=O)OC)c2ccccc2n1OC
InChIInChI=1S/C14H15NO3/c1-4-7-12-13(14(16)17-2)10-8-5-6-9-11(10)15(12)18-3/h4-9H,1-3H3/b7-4+
InChIKeyOPEFROVXKILKAD-QPJJXVBHSA-N
XLogP2.52
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 139057809
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methyl 2-methyl-1-[(2R)-1-oxopropan-2-yl]indole-3-carboxylate
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methyl 1-methyl-2-propylindole-3-carboxylate
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methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
CID 10704781
methyl 1-benzyl-2-[(E)-3-phenylprop-2-enoyl]indole-3-carboxylate
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methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate
CID 13090171
2-hydroxy-1-methoxyindole-3-carbaldehyde
CID 137263288
methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate
CID 58883428
[2,3-bis[(Z)-prop-1-enyl]indol-1-yl]phosphane
CID 154964307
methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
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dimethyl 3,4-dimethylnaphthalene-1,2-dicarboxylate
CID 151167949

Frequently Asked Questions

What is the IUPAC name of methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate?
The IUPAC name of methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate (CID 101259134) is methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate is C/C=C/c1c(C(=O)OC)c2ccccc2n1OC.
What is the InChIKey of methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate?
The InChIKey is OPEFROVXKILKAD-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H15NO3/c1-4-7-12-13(14(16)17-2)10-8-5-6-9-11(10)15(12)18-3/h4-9H,1-3H3/b7-4+.
What are the key properties of methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate?
methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate is sourced from PubChem (CID 101259134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).