(but-1-enylamino)-phenylmethanol

C11H15NO — CID 69464018

IUPAC(but-1-enylamino)-phenylmethanol
SMILESCCC=CNC(O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h3-9,11-13H,2H2,1H3
InChIKeyPWFRFSTZBDMMAF-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.19
Rot. Bonds4

About (but-1-enylamino)-phenylmethanol

(but-1-enylamino)-phenylmethanol (PubChem CID 69464018) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (but-1-enylamino)-phenylmethanol.

Molecular Properties

Compound Name(but-1-enylamino)-phenylmethanol
PubChem CID69464018
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(but-1-enylamino)-phenylmethanol
SMILESCCC=CNC(O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h3-9,11-13H,2H2,1H3
InChIKeyPWFRFSTZBDMMAF-UHFFFAOYSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.19
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-enylamino)-phenylmethanol?
The IUPAC name of (but-1-enylamino)-phenylmethanol (CID 69464018) is (but-1-enylamino)-phenylmethanol.
What is the SMILES notation for (but-1-enylamino)-phenylmethanol?
The canonical SMILES for (but-1-enylamino)-phenylmethanol is CCC=CNC(O)c1ccccc1.
What is the InChIKey of (but-1-enylamino)-phenylmethanol?
The InChIKey is PWFRFSTZBDMMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h3-9,11-13H,2H2,1H3.
What are the key properties of (but-1-enylamino)-phenylmethanol?
(but-1-enylamino)-phenylmethanol has a molecular weight of 177.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (but-1-enylamino)-phenylmethanol is sourced from PubChem (CID 69464018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).