(but-1-en-2-ylamino)methanol

C5H11NO — CID 118475638

IUPAC(but-1-en-2-ylamino)methanol
SMILESC=C(CC)NCO
InChIInChI=1S/C5H11NO/c1-3-5(2)6-4-7/h6-7H,2-4H2,1H3
InChIKeyPXQZCVJUTPITMD-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.45
Rot. Bonds3

About (but-1-en-2-ylamino)methanol

(but-1-en-2-ylamino)methanol (PubChem CID 118475638) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (but-1-en-2-ylamino)methanol.

Molecular Properties

Compound Name(but-1-en-2-ylamino)methanol
PubChem CID118475638
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(but-1-en-2-ylamino)methanol
SMILESC=C(CC)NCO
InChIInChI=1S/C5H11NO/c1-3-5(2)6-4-7/h6-7H,2-4H2,1H3
InChIKeyPXQZCVJUTPITMD-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (but-1-en-2-ylamino)methanol?
The IUPAC name of (but-1-en-2-ylamino)methanol (CID 118475638) is (but-1-en-2-ylamino)methanol.
What is the SMILES notation for (but-1-en-2-ylamino)methanol?
The canonical SMILES for (but-1-en-2-ylamino)methanol is C=C(CC)NCO.
What is the InChIKey of (but-1-en-2-ylamino)methanol?
The InChIKey is PXQZCVJUTPITMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h6-7H,2-4H2,1H3.
What are the key properties of (but-1-en-2-ylamino)methanol?
(but-1-en-2-ylamino)methanol has a molecular weight of 101.15 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (but-1-en-2-ylamino)methanol is sourced from PubChem (CID 118475638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).