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

C9H16N2O2 — CID 106100551

IUPAC3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2=NCCC2)CCOC1
InChIInChI=1S/C9H16N2O2/c12-9(3-5-13-7-9)6-11-8-2-1-4-10-8/h12H,1-7H2,(H,10,11)
InChIKeyVNCQFQDBAGOEIC-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.08
Rot. Bonds2

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

3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol (PubChem CID 106100551) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol
PubChem CID106100551
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNC2=NCCC2)CCOC1
InChIInChI=1S/C9H16N2O2/c12-9(3-5-13-7-9)6-11-8-2-1-4-10-8/h12H,1-7H2,(H,10,11)
InChIKeyVNCQFQDBAGOEIC-UHFFFAOYSA-N
XLogP-0.08
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 104760800
N-[(3-methoxyoxolan-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 104760801
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
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]-2-methyloxolan-3-ol
CID 106101014
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-hydroxyoxolan-3-yl)methylamino]propanimidamide
CID 106101826
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 106101845
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101846
N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]butanimidamide
CID 106101848
2-[(3-Hydroxyoxolan-3-yl)methyl]-1-propylguanidine
CID 106102002

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol (CID 106100551) is 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol is OC1(CNC2=NCCC2)CCOC1.
What is the InChIKey of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol?
The InChIKey is VNCQFQDBAGOEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(3-5-13-7-9)6-11-8-2-1-4-10-8/h12H,1-7H2,(H,10,11).
What are the key properties of 3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol?
3-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxolan-3-ol has a molecular weight of 184.24 g/mol, XLogP of -0.08, 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]oxolan-3-ol is sourced from PubChem (CID 106100551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).