amino(2,3-dihydropyridin-5-yl)methanol

C6H10N2O — CID 129089868

IUPACamino(2,3-dihydropyridin-5-yl)methanol
SMILESNC(O)C1=CCCN=C1
InChIInChI=1S/C6H10N2O/c7-6(9)5-2-1-3-8-4-5/h2,4,6,9H,1,3,7H2
InChIKeyQULSPMQCKQZCEL-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.34
Rot. Bonds1

About amino(2,3-dihydropyridin-5-yl)methanol

amino(2,3-dihydropyridin-5-yl)methanol (PubChem CID 129089868) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is amino(2,3-dihydropyridin-5-yl)methanol.

Molecular Properties

Compound Nameamino(2,3-dihydropyridin-5-yl)methanol
PubChem CID129089868
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Nameamino(2,3-dihydropyridin-5-yl)methanol
SMILESNC(O)C1=CCCN=C1
InChIInChI=1S/C6H10N2O/c7-6(9)5-2-1-3-8-4-5/h2,4,6,9H,1,3,7H2
InChIKeyQULSPMQCKQZCEL-UHFFFAOYSA-N
XLogP-0.34
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(2,3-dihydropyridin-5-yl)methanol?
The IUPAC name of amino(2,3-dihydropyridin-5-yl)methanol (CID 129089868) is amino(2,3-dihydropyridin-5-yl)methanol.
What is the SMILES notation for amino(2,3-dihydropyridin-5-yl)methanol?
The canonical SMILES for amino(2,3-dihydropyridin-5-yl)methanol is NC(O)C1=CCCN=C1.
What is the InChIKey of amino(2,3-dihydropyridin-5-yl)methanol?
The InChIKey is QULSPMQCKQZCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-6(9)5-2-1-3-8-4-5/h2,4,6,9H,1,3,7H2.
What are the key properties of amino(2,3-dihydropyridin-5-yl)methanol?
amino(2,3-dihydropyridin-5-yl)methanol has a molecular weight of 126.16 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(2,3-dihydropyridin-5-yl)methanol is sourced from PubChem (CID 129089868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).