1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol

C14H24N2O2 — CID 79110104

IUPAC1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(CCN2CCOCC2)c1
InChIInChI=1S/C14H24N2O2/c1-2-3-14(17)13-4-5-16(12-13)7-6-15-8-10-18-11-9-15/h4-5,12,14,17H,2-3,6-11H2,1H3
InChIKeyZYWZKHLRZWVHAY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.65
Rot. Bonds6

About 1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol

1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol (PubChem CID 79110104) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
PubChem CID79110104
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(CCN2CCOCC2)c1
InChIInChI=1S/C14H24N2O2/c1-2-3-14(17)13-4-5-16(12-13)7-6-15-8-10-18-11-9-15/h4-5,12,14,17H,2-3,6-11H2,1H3
InChIKeyZYWZKHLRZWVHAY-UHFFFAOYSA-N
XLogP1.65
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol (CID 79110104) is 1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol is CCCC(O)c1ccn(CCN2CCOCC2)c1.
What is the InChIKey of 1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol?
The InChIKey is ZYWZKHLRZWVHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-3-14(17)13-4-5-16(12-13)7-6-15-8-10-18-11-9-15/h4-5,12,14,17H,2-3,6-11H2,1H3.
What are the key properties of 1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol?
1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol is sourced from PubChem (CID 79110104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).