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

C10H18N2O2 — CID 106101014

IUPAC3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNC1=NCCC1
InChIInChI=1S/C10H18N2O2/c1-8-10(13,4-6-14-8)7-12-9-3-2-5-11-9/h8,13H,2-7H2,1H3,(H,11,12)
InChIKeySHPINHQMBAYWBD-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.31
Rot. Bonds2

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

3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 106101014) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol
PubChem CID106101014
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNC1=NCCC1
InChIInChI=1S/C10H18N2O2/c1-8-10(13,4-6-14-8)7-12-9-3-2-5-11-9/h8,13H,2-7H2,1H3,(H,11,12)
InChIKeySHPINHQMBAYWBD-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

4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol
CID 81130115
N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 104760800
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol
CID 106100551
3-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
CID 106100574
3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]oxolan-3-ol
CID 106100596
2-Methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
CID 106101039
2-methyl-3-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]oxolan-3-ol
CID 106101059
N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanimidamide
CID 106101856
N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide
CID 106101865
N'-hydroxy-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]butanimidamide
CID 106101872
N'-hydroxy-4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
CID 106101873
N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 106101874

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol (CID 106101014) is 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNC1=NCCC1.
What is the InChIKey of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is SHPINHQMBAYWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8-10(13,4-6-14-8)7-12-9-3-2-5-11-9/h8,13H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol?
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-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 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106101014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).