3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol

C17H26N2O2 — CID 10613479

IUPAC3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol
SMILESCc1c[nH]c(Cc2[nH]cc(C)c2CCCO)c1CCCO
InChIInChI=1S/C17H26N2O2/c1-12-10-18-16(14(12)5-3-7-20)9-17-15(6-4-8-21)13(2)11-19-17/h10-11,18-21H,3-9H2,1-2H3
InChIKeyPWEXEHYTCPLVBZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.40
Rot. Bonds8

About 3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol

3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol (PubChem CID 10613479) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol
PubChem CID10613479
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol
SMILESCc1c[nH]c(Cc2[nH]cc(C)c2CCCO)c1CCCO
InChIInChI=1S/C17H26N2O2/c1-12-10-18-16(14(12)5-3-7-20)9-17-15(6-4-8-21)13(2)11-19-17/h10-11,18-21H,3-9H2,1-2H3
InChIKeyPWEXEHYTCPLVBZ-UHFFFAOYSA-N
XLogP2.40
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol?
The IUPAC name of 3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol (CID 10613479) is 3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol is Cc1c[nH]c(Cc2[nH]cc(C)c2CCCO)c1CCCO.
What is the InChIKey of 3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol?
The InChIKey is PWEXEHYTCPLVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-10-18-16(14(12)5-3-7-20)9-17-15(6-4-8-21)13(2)11-19-17/h10-11,18-21H,3-9H2,1-2H3.
What are the key properties of 3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol?
3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol has a molecular weight of 290.41 g/mol, XLogP of 2.40, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 10613479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).