(1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol

C8H16N2O2 — CID 97049748

IUPAC(1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
SMILESC=C(CN1CCOCC1)[C@H](N)O
InChIInChI=1S/C8H16N2O2/c1-7(8(9)11)6-10-2-4-12-5-3-10/h8,11H,1-6,9H2/t8-/m1/s1
InChIKeyOPRFYBQZKHDIBI-MRVPVSSYSA-N
MW172.23 g/mol
LogP-0.85
Rot. Bonds3

About (1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol

(1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol (PubChem CID 97049748) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
PubChem CID97049748
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
SMILESC=C(CN1CCOCC1)[C@H](N)O
InChIInChI=1S/C8H16N2O2/c1-7(8(9)11)6-10-2-4-12-5-3-10/h8,11H,1-6,9H2/t8-/m1/s1
InChIKeyOPRFYBQZKHDIBI-MRVPVSSYSA-N
XLogP-0.85
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Morpholin-4-ylmethyl)prop-2-en-1-ol
CID 117266737
1-(Methylamino)-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
CID 142163657
(1S)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol
CID 97049747
[4-[2-(Aminomethyl)prop-2-enyl]morpholin-3-yl]methanol
CID 103071365

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol?
The IUPAC name of (1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol (CID 97049748) is (1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol?
The canonical SMILES for (1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol is C=C(CN1CCOCC1)[C@H](N)O.
What is the InChIKey of (1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol?
The InChIKey is OPRFYBQZKHDIBI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(8(9)11)6-10-2-4-12-5-3-10/h8,11H,1-6,9H2/t8-/m1/s1.
What are the key properties of (1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol?
(1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol has a molecular weight of 172.23 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-2-(morpholin-4-ylmethyl)prop-2-en-1-ol is sourced from PubChem (CID 97049748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).