tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate

C19H23NO3 — CID 144701085

IUPACtert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate
SMILESC=Cc1c(/C=C\C)n(C(=O)OC(C)(C)C)c2ccc(CO)cc12
InChIInChI=1S/C19H23NO3/c1-6-8-16-14(7-2)15-11-13(12-21)9-10-17(15)20(16)18(22)23-19(3,4)5/h6-11,21H,2,12H2,1,3-5H3/b8-6-
InChIKeyZGXUPVOMXDPMJV-VURMDHGXSA-N
MW313.40 g/mol
LogP4.59
Rot. Bonds3

About tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate

tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate (PubChem CID 144701085) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate
PubChem CID144701085
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nametert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate
SMILESC=Cc1c(/C=C\C)n(C(=O)OC(C)(C)C)c2ccc(CO)cc12
InChIInChI=1S/C19H23NO3/c1-6-8-16-14(7-2)15-11-13(12-21)9-10-17(15)20(16)18(22)23-19(3,4)5/h6-11,21H,2,12H2,1,3-5H3/b8-6-
InChIKeyZGXUPVOMXDPMJV-VURMDHGXSA-N
XLogP4.59
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-formyl-2,5-dimethylindole-1-carboxylate
CID 118084216
tert-butyl 6-(hydroxymethyl)indole-1-carboxylate
CID 23560816
tert-butyl 3-methyl-2-[2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]ethenyl]indole-1-carboxylate
CID 162263594
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
tert-butyl 2-ethenyl-3-(2-ethoxy-2-oxoethyl)-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
CID 90281270
tert-butyl (E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoate
CID 101415549
tert-butyl 3-bromo-6-methylcarbazole-9-carboxylate
CID 21072274
tert-butyl 2-prop-2-enylindole-1-carboxylate
CID 71425523
tert-butyl 3-(hydroxymethyl)pyrrole-1-carboxylate
CID 10821751
tert-butyl 2,7-diformylcarbazole-9-carboxylate
CID 10829746
tert-butyl 3,5-dichloro-2-(3-oxo-3-prop-2-enoxypropyl)sulfonylindole-1-carboxylate
CID 23084091
1-O-tert-butyl 2-O-methyl 3-(hydroxymethyl)indole-1,2-dicarboxylate
CID 177415354

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate (CID 144701085) is tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate is C=Cc1c(/C=C\C)n(C(=O)OC(C)(C)C)c2ccc(CO)cc12.
What is the InChIKey of tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate?
The InChIKey is ZGXUPVOMXDPMJV-VURMDHGXSA-N. The full InChI is InChI=1S/C19H23NO3/c1-6-8-16-14(7-2)15-11-13(12-21)9-10-17(15)20(16)18(22)23-19(3,4)5/h6-11,21H,2,12H2,1,3-5H3/b8-6-.
What are the key properties of tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate?
tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethenyl-5-(hydroxymethyl)-2-[(Z)-prop-1-enyl]indole-1-carboxylate is sourced from PubChem (CID 144701085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).