tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate

C15H18N2O2 — CID 89045891

IUPACtert-butyl 4-(1-aminoethenyl)indole-1-carboxylate
SMILESC=C(N)c1cccc2c1ccn2C(=O)OC(C)(C)C
InChIInChI=1S/C15H18N2O2/c1-10(16)11-6-5-7-13-12(11)8-9-17(13)14(18)19-15(2,3)4/h5-9H,1,16H2,2-4H3
InChIKeyBJPKDZDRJUCRQU-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.35
Rot. Bonds1

About tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate

tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate (PubChem CID 89045891) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-aminoethenyl)indole-1-carboxylate
PubChem CID89045891
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nametert-butyl 4-(1-aminoethenyl)indole-1-carboxylate
SMILESC=C(N)c1cccc2c1ccn2C(=O)OC(C)(C)C
InChIInChI=1S/C15H18N2O2/c1-10(16)11-6-5-7-13-12(11)8-9-17(13)14(18)19-15(2,3)4/h5-9H,1,16H2,2-4H3
InChIKeyBJPKDZDRJUCRQU-UHFFFAOYSA-N
XLogP3.35
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-cyanopropan-2-ylamino)indole-1-carboxylate
CID 163283186
tert-butyl 4-isocyanoindole-1-carboxylate
CID 58559213
tert-butyl 4-propylindole-1-carboxylate
CID 70451339
tert-butyl 4-[(E)-2-bromoethenyl]indole-1-carboxylate
CID 170222267
tert-butyl 4-oxoquinoline-1-carboxylate
CID 71540334
tert-butyl 4-(difluoromethoxy)indole-1-carboxylate
CID 133063423
tert-butyl 4-[(2S)-2-amino-3-methoxypropyl]indole-1-carboxylate
CID 170598333
tert-butyl 3-acetylindole-1-carboxylate
CID 14593498
tert-butyl furo[3,4-b]pyrrole-1-carboxylate
CID 168870620
tert-butyl 4-(2,5-dichloropyrimidin-4-yl)indole-1-carboxylate
CID 171839816
tert-butyl 4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylate
CID 23544628
1-O-tert-butyl 4-O-methyl 6-chloroindole-1,4-dicarboxylate
CID 59497618

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate (CID 89045891) is tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate is C=C(N)c1cccc2c1ccn2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate?
The InChIKey is BJPKDZDRJUCRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(16)11-6-5-7-13-12(11)8-9-17(13)14(18)19-15(2,3)4/h5-9H,1,16H2,2-4H3.
What are the key properties of tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate?
tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate is sourced from PubChem (CID 89045891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).