1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

C16H22N2O2S — CID 71912114

IUPAC1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)CN1CCCC1c1ccc[nH]1
InChIInChI=1S/C16H22N2O2S/c19-13(11-20-12-14-4-3-9-21-14)10-18-8-2-6-16(18)15-5-1-7-17-15/h1,3-5,7,9,13,16-17,19H,2,6,8,10-12H2
InChIKeyWSVZBBIZULTBMQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.79
Rot. Bonds7

About 1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 71912114) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID71912114
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)CN1CCCC1c1ccc[nH]1
InChIInChI=1S/C16H22N2O2S/c19-13(11-20-12-14-4-3-9-21-14)10-18-8-2-6-16(18)15-5-1-7-17-15/h1,3-5,7,9,13,16-17,19H,2,6,8,10-12H2
InChIKeyWSVZBBIZULTBMQ-UHFFFAOYSA-N
XLogP2.79
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 71912114) is 1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(COCc1cccs1)CN1CCCC1c1ccc[nH]1.
What is the InChIKey of 1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is WSVZBBIZULTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-13(11-20-12-14-4-3-9-21-14)10-18-8-2-6-16(18)15-5-1-7-17-15/h1,3-5,7,9,13,16-17,19H,2,6,8,10-12H2.
What are the key properties of 1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 306.43 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 71912114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).