4-methylmorpholin-2-ol;hydrate

C5H13NO3 — CID 175404438

IUPAC4-methylmorpholin-2-ol;hydrate
SMILESCN1CCOC(O)C1.O
InChIInChI=1S/C5H11NO2.H2O/c1-6-2-3-8-5(7)4-6;/h5,7H,2-4H2,1H3;1H2
InChIKeyBRZGRIIBMSHTKZ-UHFFFAOYSA-N
MW135.16 g/mol
LogP-1.56
Rot. Bonds

About 4-methylmorpholin-2-ol;hydrate

4-methylmorpholin-2-ol;hydrate (PubChem CID 175404438) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 4-methylmorpholin-2-ol;hydrate.

Molecular Properties

Compound Name4-methylmorpholin-2-ol;hydrate
PubChem CID175404438
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name4-methylmorpholin-2-ol;hydrate
SMILESCN1CCOC(O)C1.O
InChIInChI=1S/C5H11NO2.H2O/c1-6-2-3-8-5(7)4-6;/h5,7H,2-4H2,1H3;1H2
InChIKeyBRZGRIIBMSHTKZ-UHFFFAOYSA-N
XLogP-1.56
TPSA64.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethylmorpholine;methanol
CID 156729518
4-propylmorpholin-2-ol
CID 126640355
1-(4-methylmorpholin-2-yl)ethanol;hydrate
CID 173248751
(2S)-2,4-dimethylmorpholine;2,4-dimethylmorpholine;methane
CID 161136062
2-fluoro-4-methylmorpholine
CID 86015545
ethane;4-methyl-1,4-oxazepan-6-ol
CID 169236342
2-cyclopropyl-4-methylmorpholine
CID 121357634
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
(4-methylmorpholine-2-carbonyl)-λ2-stannane
CID 174736409
(2R)-4-(2-pyrrolidin-1-ylethyl)morpholin-2-ol
CID 163851059
ethane;2-(4-methylmorpholin-2-yl)propan-2-ol
CID 177158798
(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol
CID 135232133

Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholin-2-ol;hydrate?
The IUPAC name of 4-methylmorpholin-2-ol;hydrate (CID 175404438) is 4-methylmorpholin-2-ol;hydrate.
What is the SMILES notation for 4-methylmorpholin-2-ol;hydrate?
The canonical SMILES for 4-methylmorpholin-2-ol;hydrate is CN1CCOC(O)C1.O.
What is the InChIKey of 4-methylmorpholin-2-ol;hydrate?
The InChIKey is BRZGRIIBMSHTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.H2O/c1-6-2-3-8-5(7)4-6;/h5,7H,2-4H2,1H3;1H2.
What are the key properties of 4-methylmorpholin-2-ol;hydrate?
4-methylmorpholin-2-ol;hydrate has a molecular weight of 135.16 g/mol, XLogP of -1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholin-2-ol;hydrate is sourced from PubChem (CID 175404438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).