1-(ethylamino)ethanol;1H-pyridin-2-one

C9H16N2O2 — CID 158453109

IUPAC1-(ethylamino)ethanol;1H-pyridin-2-one
SMILESCCNC(C)O.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C4H11NO/c7-5-3-1-2-4-6-5;1-3-5-4(2)6/h1-4H,(H,6,7);4-6H,3H2,1-2H3
InChIKeyHEFWUICTWYVCNM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.31
Rot. Bonds2

About 1-(ethylamino)ethanol;1H-pyridin-2-one

1-(ethylamino)ethanol;1H-pyridin-2-one (PubChem CID 158453109) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(ethylamino)ethanol;1H-pyridin-2-one.

Molecular Properties

Compound Name1-(ethylamino)ethanol;1H-pyridin-2-one
PubChem CID158453109
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(ethylamino)ethanol;1H-pyridin-2-one
SMILESCCNC(C)O.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C4H11NO/c7-5-3-1-2-4-6-5;1-3-5-4(2)6/h1-4H,(H,6,7);4-6H,3H2,1-2H3
InChIKeyHEFWUICTWYVCNM-UHFFFAOYSA-N
XLogP0.31
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.31
H-Bond Donors ≤ 53
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 1-(ethylamino)ethanol;1H-pyridin-2-one?
The IUPAC name of 1-(ethylamino)ethanol;1H-pyridin-2-one (CID 158453109) is 1-(ethylamino)ethanol;1H-pyridin-2-one.
What is the SMILES notation for 1-(ethylamino)ethanol;1H-pyridin-2-one?
The canonical SMILES for 1-(ethylamino)ethanol;1H-pyridin-2-one is CCNC(C)O.O=c1cccc[nH]1.
What is the InChIKey of 1-(ethylamino)ethanol;1H-pyridin-2-one?
The InChIKey is HEFWUICTWYVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C4H11NO/c7-5-3-1-2-4-6-5;1-3-5-4(2)6/h1-4H,(H,6,7);4-6H,3H2,1-2H3.
What are the key properties of 1-(ethylamino)ethanol;1H-pyridin-2-one?
1-(ethylamino)ethanol;1H-pyridin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)ethanol;1H-pyridin-2-one is sourced from PubChem (CID 158453109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).