2-(1-methylpyrrol-3-yl)morpholine

C9H14N2O — CID 82280335

IUPAC2-(1-methylpyrrol-3-yl)morpholine
SMILESCn1ccc(C2CNCCO2)c1
InChIInChI=1S/C9H14N2O/c1-11-4-2-8(7-11)9-6-10-3-5-12-9/h2,4,7,9-10H,3,5-6H2,1H3
InChIKeyGLCAZIZGCMEOGP-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.69
Rot. Bonds1

About 2-(1-methylpyrrol-3-yl)morpholine

2-(1-methylpyrrol-3-yl)morpholine (PubChem CID 82280335) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)morpholine.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)morpholine
PubChem CID82280335
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(1-methylpyrrol-3-yl)morpholine
SMILESCn1ccc(C2CNCCO2)c1
InChIInChI=1S/C9H14N2O/c1-11-4-2-8(7-11)9-6-10-3-5-12-9/h2,4,7,9-10H,3,5-6H2,1H3
InChIKeyGLCAZIZGCMEOGP-UHFFFAOYSA-N
XLogP0.69
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(1-methylpyrazol-4-yl)morpholine
CID 177151428
azane;2-phenylmorpholine
CID 174664757
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(3-chloro-1-methylindol-5-yl)morpholine
CID 117380161
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione
CID 117467423
(2S)-2-(1-methylpyrazol-4-yl)-1,4-oxazepane
CID 96749778

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)morpholine?
The IUPAC name of 2-(1-methylpyrrol-3-yl)morpholine (CID 82280335) is 2-(1-methylpyrrol-3-yl)morpholine.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)morpholine?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)morpholine is Cn1ccc(C2CNCCO2)c1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)morpholine?
The InChIKey is GLCAZIZGCMEOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-4-2-8(7-11)9-6-10-3-5-12-9/h2,4,7,9-10H,3,5-6H2,1H3.
What are the key properties of 2-(1-methylpyrrol-3-yl)morpholine?
2-(1-methylpyrrol-3-yl)morpholine has a molecular weight of 166.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)morpholine is sourced from PubChem (CID 82280335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).