tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate

C14H19NO2S — CID 18947070

IUPACtert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
SMILESC=C(C)c1scc2c1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H19NO2S/c1-9(2)12-11-7-15(6-10(11)8-18-12)13(16)17-14(3,4)5/h8H,1,6-7H2,2-5H3
InChIKeyBTNLPVXBDKDIDT-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.03
Rot. Bonds1

About tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate

tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate (PubChem CID 18947070) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
PubChem CID18947070
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Nametert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
SMILESC=C(C)c1scc2c1CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C14H19NO2S/c1-9(2)12-11-7-15(6-10(11)8-18-12)13(16)17-14(3,4)5/h8H,1,6-7H2,2-5H3
InChIKeyBTNLPVXBDKDIDT-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 2-(aminomethyl)-4H-thieno[2,3-c]pyrrole-5(6H)-carboxylate
CID 155897007
5-t-Butoxycarbonyl-3-methyl-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine
CID 18377353
1-(2-hydroxy-2-propyl)-5-(1,1-dimethyl-ethoxy) carbonyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
CID 18947031
1-(1-Methylethyl)-5-(1,1-dimethylethoxy)carbonyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole
CID 18947058
tert-butyl N-(4,6-dihydrothieno[2,3-c]pyrrol-5-yl)-N-methylcarbamate
CID 66880308
3-(1-Methylcyclopropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 67804013
3-Prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
CID 67804043
Tert-butyl 3-(2-hydroxypropyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
CID 67844064
4-Methyl-2-tributylstannanyl-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylic Acid, Tert-Butyl Ester
CID 69987736
Tert-butyl 3-acetyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
CID 82379616
[5-[(2-Methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]boronic acid
CID 89859893
Tert-butyl 3-formyl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate
CID 97755747

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate (CID 18947070) is tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate is C=C(C)c1scc2c1CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate?
The InChIKey is BTNLPVXBDKDIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-9(2)12-11-7-15(6-10(11)8-18-12)13(16)17-14(3,4)5/h8H,1,6-7H2,2-5H3.
What are the key properties of tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate?
tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate has a molecular weight of 265.38 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-prop-1-en-2-yl-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylate is sourced from PubChem (CID 18947070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).