2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C16H21NOS — CID 83208564

IUPAC2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCCc1ccc(Cn2cc3c(c2)C(O)CCCC3)s1
InChIInChI=1S/C16H21NOS/c1-2-13-7-8-14(19-13)10-17-9-12-5-3-4-6-16(18)15(12)11-17/h7-9,11,16,18H,2-6,10H2,1H3
InChIKeyFNWBITDUHGEBLQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.92
Rot. Bonds3

About 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83208564) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83208564
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCCc1ccc(Cn2cc3c(c2)C(O)CCCC3)s1
InChIInChI=1S/C16H21NOS/c1-2-13-7-8-14(19-13)10-17-9-12-5-3-4-6-16(18)15(12)11-17/h7-9,11,16,18H,2-6,10H2,1H3
InChIKeyFNWBITDUHGEBLQ-UHFFFAOYSA-N
XLogP3.92
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol with MolForge

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Related Compounds

2-[1-(2-Pyridin-4-ylethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanol
CID 111858441
(5-Tert-butylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 113447145
[2-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-3-yl]-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-(1,2-dihydropyridin-5-yl)methanol
CID 143495078
(5-Ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 63893812
1-[1-[(5-Ethylthiophen-2-yl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanol
CID 81603606
(5-Tert-butylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 81639097
2-(5-Ethylthiophen-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
CID 81748256
(5-Ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 104737569
2-(5-Ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105087760
(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 114981098
(3-fluoro-4-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115833986
1-(5-(5-Fluoropyridin-3-yl)thiophen-2-yl)ethanol
CID 178290656

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83208564) is 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is CCc1ccc(Cn2cc3c(c2)C(O)CCCC3)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is FNWBITDUHGEBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-2-13-7-8-14(19-13)10-17-9-12-5-3-4-6-16(18)15(12)11-17/h7-9,11,16,18H,2-6,10H2,1H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 275.42 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83208564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).