6-methyloxazepane-4,5-diol

C6H13NO3 — CID 123486151

IUPAC6-methyloxazepane-4,5-diol
SMILESCC1CONCC(O)C1O
InChIInChI=1S/C6H13NO3/c1-4-3-10-7-2-5(8)6(4)9/h4-9H,2-3H2,1H3
InChIKeyDEUIHEMRRVQOBL-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.12
Rot. Bonds

About 6-methyloxazepane-4,5-diol

6-methyloxazepane-4,5-diol (PubChem CID 123486151) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 6-methyloxazepane-4,5-diol.

Molecular Properties

Compound Name6-methyloxazepane-4,5-diol
PubChem CID123486151
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name6-methyloxazepane-4,5-diol
SMILESCC1CONCC(O)C1O
InChIInChI=1S/C6H13NO3/c1-4-3-10-7-2-5(8)6(4)9/h4-9H,2-3H2,1H3
InChIKeyDEUIHEMRRVQOBL-UHFFFAOYSA-N
XLogP-1.12
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyloxazinane
CID 177019669
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644
(3R,4S,5R,6R)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950388
(3R,4S,5R,6S)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950390
(2R,3R,4S,5S)-2-methylpiperidine-3,4,5-triol
CID 10888061
(2S,3R,4S,5S)-2-methylpiperidine-3,4,5-triol
CID 55300795
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
piperidine-3,4,5-triol;hydrochloride
CID 73223230
(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
CID 67314821
N-methyl-1,2-oxazolidin-4-amine
CID 20736567
cis-(1R,2S)-3-methylcyclopentane-1,2-diol
CID 66664692
(1S,2R,3S)-3-methylcyclopentane-1,2-diol
CID 11863599

Frequently Asked Questions

What is the IUPAC name of 6-methyloxazepane-4,5-diol?
The IUPAC name of 6-methyloxazepane-4,5-diol (CID 123486151) is 6-methyloxazepane-4,5-diol.
What is the SMILES notation for 6-methyloxazepane-4,5-diol?
The canonical SMILES for 6-methyloxazepane-4,5-diol is CC1CONCC(O)C1O.
What is the InChIKey of 6-methyloxazepane-4,5-diol?
The InChIKey is DEUIHEMRRVQOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4-3-10-7-2-5(8)6(4)9/h4-9H,2-3H2,1H3.
What are the key properties of 6-methyloxazepane-4,5-diol?
6-methyloxazepane-4,5-diol has a molecular weight of 147.17 g/mol, XLogP of -1.12, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyloxazepane-4,5-diol is sourced from PubChem (CID 123486151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).