3-(ethylamino)prop-1-en-2-ol

C5H11NO — CID 87786158

IUPAC3-(ethylamino)prop-1-en-2-ol
SMILESC=C(O)CNCC
InChIInChI=1S/C5H11NO/c1-3-6-4-5(2)7/h6-7H,2-4H2,1H3
InChIKeyUNSHWQKXUMAIFC-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.67
Rot. Bonds3

About 3-(ethylamino)prop-1-en-2-ol

3-(ethylamino)prop-1-en-2-ol (PubChem CID 87786158) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-(ethylamino)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(ethylamino)prop-1-en-2-ol
PubChem CID87786158
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-(ethylamino)prop-1-en-2-ol
SMILESC=C(O)CNCC
InChIInChI=1S/C5H11NO/c1-3-6-4-5(2)7/h6-7H,2-4H2,1H3
InChIKeyUNSHWQKXUMAIFC-UHFFFAOYSA-N
XLogP0.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(Methylamino)but-1-en-2-ol
CID 20724939
2-Methyl-1-(prop-2-enylamino)propan-2-ol
CID 39235006
(3R)-3-(methylamino)but-1-en-2-ol
CID 59247912
(3S)-3-(methylamino)but-1-en-2-ol
CID 60085902
3-(2-Hydroxyprop-2-enylamino)prop-1-en-2-ol
CID 87065169
3-(2-Aminoethylamino)prop-1-en-2-ol
CID 87084471
3-(2-Hydroxyethylamino)prop-1-en-2-ol
CID 87605939
3-(1-Hydroxyethylamino)prop-1-en-2-ol
CID 87605940
3-(Prop-1-en-2-ylamino)prop-1-en-2-ol
CID 88008143
3-(Methylamino)prop-1-en-2-ol
CID 88482880
3-(Prop-2-enylamino)prop-1-en-2-ol
CID 88629766
3-(Prop-2-ynylamino)prop-1-en-2-ol
CID 88654951

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)prop-1-en-2-ol?
The IUPAC name of 3-(ethylamino)prop-1-en-2-ol (CID 87786158) is 3-(ethylamino)prop-1-en-2-ol.
What is the SMILES notation for 3-(ethylamino)prop-1-en-2-ol?
The canonical SMILES for 3-(ethylamino)prop-1-en-2-ol is C=C(O)CNCC.
What is the InChIKey of 3-(ethylamino)prop-1-en-2-ol?
The InChIKey is UNSHWQKXUMAIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-6-4-5(2)7/h6-7H,2-4H2,1H3.
What are the key properties of 3-(ethylamino)prop-1-en-2-ol?
3-(ethylamino)prop-1-en-2-ol has a molecular weight of 101.15 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)prop-1-en-2-ol is sourced from PubChem (CID 87786158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).