N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide

C7H13NO3 — CID 134289465

IUPACN-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide
SMILESO=CNC1CC[C@@H](CO)OC1
InChIInChI=1S/C7H13NO3/c9-3-7-2-1-6(4-11-7)8-5-10/h5-7,9H,1-4H2,(H,8,10)/t6?,7-/m0/s1
InChIKeyGRKAJJAQMAXCTH-MLWJPKLSSA-N
MW159.18 g/mol
LogP-0.73
Rot. Bonds3

About N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide

N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide (PubChem CID 134289465) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide.

Molecular Properties

Compound NameN-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide
PubChem CID134289465
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide
SMILESO=CNC1CC[C@@H](CO)OC1
InChIInChI=1S/C7H13NO3/c9-3-7-2-1-6(4-11-7)8-5-10/h5-7,9H,1-4H2,(H,8,10)/t6?,7-/m0/s1
InChIKeyGRKAJJAQMAXCTH-MLWJPKLSSA-N
XLogP-0.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid
CID 90108644
N-[6-(hydroxymethyl)oxan-3-yl]acetamide
CID 89371393
[(2S,5R)-5-(tert-butylamino)oxan-2-yl]methanol
CID 177078681
N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 172572264
(5-fluorooxan-2-yl)methanol
CID 90449117
N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 122466966
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 146573761
molecular iodine;oxiran-2-ylmethanol
CID 159687317
(5-methoxyoxan-2-yl)methanol
CID 54040462
[(2S,5R)-5-ethoxyoxan-2-yl]methanol
CID 166908026
tert-butyl N-[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamate;[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl methanesulfonate
CID 162042345
[(3R,6S)-6-(iodomethyl)oxan-3-yl]carbamic acid
CID 141137968

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide?
The IUPAC name of N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide (CID 134289465) is N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide.
What is the SMILES notation for N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide?
The canonical SMILES for N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide is O=CNC1CC[C@@H](CO)OC1.
What is the InChIKey of N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide?
The InChIKey is GRKAJJAQMAXCTH-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H13NO3/c9-3-7-2-1-6(4-11-7)8-5-10/h5-7,9H,1-4H2,(H,8,10)/t6?,7-/m0/s1.
What are the key properties of N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide?
N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide has a molecular weight of 159.18 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-(hydroxymethyl)oxan-3-yl]formamide is sourced from PubChem (CID 134289465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).