4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol

C10H18N2O2 — CID 81130115

IUPAC4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2=NCCC2)CCOCC1
InChIInChI=1S/C10H18N2O2/c13-10(3-6-14-7-4-10)8-12-9-2-1-5-11-9/h13H,1-8H2,(H,11,12)
InChIKeyZZLPGSWEZACRDC-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.31
Rot. Bonds2

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

4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol (PubChem CID 81130115) 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)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol
PubChem CID81130115
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol
SMILESOC1(CNC2=NCCC2)CCOCC1
InChIInChI=1S/C10H18N2O2/c13-10(3-6-14-7-4-10)8-12-9-2-1-5-11-9/h13H,1-8H2,(H,11,12)
InChIKeyZZLPGSWEZACRDC-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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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol (CID 81130115) is 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol is OC1(CNC2=NCCC2)CCOCC1.
What is the InChIKey of 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol?
The InChIKey is ZZLPGSWEZACRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10(3-6-14-7-4-10)8-12-9-2-1-5-11-9/h13H,1-8H2,(H,11,12).
What are the key properties of 4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol?
4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol 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)methyl]oxan-4-ol is sourced from PubChem (CID 81130115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).