[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol

C10H18N2O2 — CID 106297496

IUPAC[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol
SMILESOCC1(NC2=NCCC2)CCOCC1
InChIInChI=1S/C10H18N2O2/c13-8-10(3-6-14-7-4-10)12-9-2-1-5-11-9/h13H,1-8H2,(H,11,12)
InChIKeyMSFXMXZCUYGKSL-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.31
Rot. Bonds2

About [4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol

[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol (PubChem CID 106297496) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol
PubChem CID106297496
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol
SMILESOCC1(NC2=NCCC2)CCOCC1
InChIInChI=1S/C10H18N2O2/c13-8-10(3-6-14-7-4-10)12-9-2-1-5-11-9/h13H,1-8H2,(H,11,12)
InChIKeyMSFXMXZCUYGKSL-UHFFFAOYSA-N
XLogP0.31
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-hydroxyethyl)-3-N'-methyl-1-N'-(4-methyloxan-4-yl)propanediimidamide
CID 123238034
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-ethylbutan-1-ol
CID 79507948
3-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylpentan-1-ol
CID 106175286
[4-(2,3,4,5-Tetrahydropyridin-6-ylamino)oxan-4-yl]methanol
CID 106297711
[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)oxan-4-yl]methanol
CID 106297904
N'-hydroxy-4-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide
CID 106299256
2-Cyclopentyl-1-[4-(hydroxymethyl)oxan-4-yl]guanidine
CID 113236757
N'-hydroxy-5-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide
CID 114170298
N-(4-methyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 116231421
[3-(3,4-dihydro-2H-pyrrol-5-ylamino)oxolan-3-yl]methanol
CID 133620039

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol (CID 106297496) is [4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol is OCC1(NC2=NCCC2)CCOCC1.
What is the InChIKey of [4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol?
The InChIKey is MSFXMXZCUYGKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-8-10(3-6-14-7-4-10)12-9-2-1-5-11-9/h13H,1-8H2,(H,11,12).
What are the key properties of [4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol?
[4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol has a molecular weight of 198.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-2H-pyrrol-5-ylamino)oxan-4-yl]methanol is sourced from PubChem (CID 106297496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).