3-(2H-pyran-6-yl)morpholine

C9H13NO2 — CID 123320794

IUPAC3-(2H-pyran-6-yl)morpholine
SMILESC1=CCOC(C2COCCN2)=C1
InChIInChI=1S/C9H13NO2/c1-2-5-12-9(3-1)8-7-11-6-4-10-8/h1-3,8,10H,4-7H2
InChIKeySIWKVAUKKDZLOF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.45
Rot. Bonds1

About 3-(2H-pyran-6-yl)morpholine

3-(2H-pyran-6-yl)morpholine (PubChem CID 123320794) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(2H-pyran-6-yl)morpholine.

Molecular Properties

Compound Name3-(2H-pyran-6-yl)morpholine
PubChem CID123320794
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(2H-pyran-6-yl)morpholine
SMILESC1=CCOC(C2COCCN2)=C1
InChIInChI=1S/C9H13NO2/c1-2-5-12-9(3-1)8-7-11-6-4-10-8/h1-3,8,10H,4-7H2
InChIKeySIWKVAUKKDZLOF-UHFFFAOYSA-N
XLogP0.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 166944297
3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 22475307
14-Methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
CID 89139683
3,5a,9a,10-tetrahydro-2H-phenoxazine
CID 135193048
(2E,3E)-2,3-di(ethylidene)-4a,8a-dihydro-4H-1,4-benzoxazine
CID 135193055
2-Methoxycyclohexa-1,3-diene;morpholine
CID 144463140
2,3,4,4a-Tetrahydrobenzo[b][1,4]oxazine
CID 152753524
5a,9a,10,10a-tetrahydro-4aH-phenoxazine
CID 153089951
3,4,4a,5,6,7a-hexahydro-2H-[1]benzoxepino[5,4-b][1,4]oxazine
CID 154392817
(8aS)-3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 155473163
3-(2H-pyran-2-yl)morpholine
CID 173077497
(3S)-3-(1-methoxyprop-1-enyl)morpholine
CID 173520359

Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyran-6-yl)morpholine?
The IUPAC name of 3-(2H-pyran-6-yl)morpholine (CID 123320794) is 3-(2H-pyran-6-yl)morpholine.
What is the SMILES notation for 3-(2H-pyran-6-yl)morpholine?
The canonical SMILES for 3-(2H-pyran-6-yl)morpholine is C1=CCOC(C2COCCN2)=C1.
What is the InChIKey of 3-(2H-pyran-6-yl)morpholine?
The InChIKey is SIWKVAUKKDZLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-5-12-9(3-1)8-7-11-6-4-10-8/h1-3,8,10H,4-7H2.
What are the key properties of 3-(2H-pyran-6-yl)morpholine?
3-(2H-pyran-6-yl)morpholine has a molecular weight of 167.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyran-6-yl)morpholine is sourced from PubChem (CID 123320794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).