(E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol

C12H18N2O2 — CID 154584740

IUPAC(E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol
SMILESOC(/C=C/c1ccc[nH]1)CN1CCOCC1
InChIInChI=1S/C12H18N2O2/c15-12(4-3-11-2-1-5-13-11)10-14-6-8-16-9-7-14/h1-5,12-13,15H,6-10H2/b4-3+
InChIKeyPUQLCQFDAHUPDK-ONEGZZNKSA-N
MW222.29 g/mol
LogP0.72
Rot. Bonds4

About (E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol

(E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol (PubChem CID 154584740) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol
PubChem CID154584740
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol
SMILESOC(/C=C/c1ccc[nH]1)CN1CCOCC1
InChIInChI=1S/C12H18N2O2/c15-12(4-3-11-2-1-5-13-11)10-14-6-8-16-9-7-14/h1-5,12-13,15H,6-10H2/b4-3+
InChIKeyPUQLCQFDAHUPDK-ONEGZZNKSA-N
XLogP0.72
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol
CID 11971886
1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol
CID 3062131
3-(1H-pyrrol-2-ylmethyl)-1,3-oxazolidine
CID 139266830
3-morpholin-4-yl-2-thiophen-2-ylpropan-1-ol
CID 117240417
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
2-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663033
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049
2-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethanol
CID 116860208
2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748088
(Z)-3-(1H-pyrrol-2-yl)prop-2-en-1-ol
CID 55287867
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol?
The IUPAC name of (E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol (CID 154584740) is (E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol?
The canonical SMILES for (E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol is OC(/C=C/c1ccc[nH]1)CN1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol?
The InChIKey is PUQLCQFDAHUPDK-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(4-3-11-2-1-5-13-11)10-14-6-8-16-9-7-14/h1-5,12-13,15H,6-10H2/b4-3+.
What are the key properties of (E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol?
(E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol has a molecular weight of 222.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol is sourced from PubChem (CID 154584740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).