(E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol

C13H13NO — CID 166448656

IUPAC(E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol
SMILESO/C=C/CNc1ccc2ccccc2c1
InChIInChI=1S/C13H13NO/c15-9-3-8-14-13-7-6-11-4-1-2-5-12(11)10-13/h1-7,9-10,14-15H,8H2/b9-3+
InChIKeyZFNXPSRVXGCCKE-YCRREMRBSA-N
MW199.25 g/mol
LogP3.32
Rot. Bonds3

About (E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol

(E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol (PubChem CID 166448656) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol.

Molecular Properties

Compound Name(E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol
PubChem CID166448656
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol
SMILESO/C=C/CNc1ccc2ccccc2c1
InChIInChI=1S/C13H13NO/c15-9-3-8-14-13-7-6-11-4-1-2-5-12(11)10-13/h1-7,9-10,14-15H,8H2/b9-3+
InChIKeyZFNXPSRVXGCCKE-YCRREMRBSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol?
The IUPAC name of (E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol (CID 166448656) is (E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol.
What is the SMILES notation for (E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol?
The canonical SMILES for (E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol is O/C=C/CNc1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol?
The InChIKey is ZFNXPSRVXGCCKE-YCRREMRBSA-N. The full InChI is InChI=1S/C13H13NO/c15-9-3-8-14-13-7-6-11-4-1-2-5-12(11)10-13/h1-7,9-10,14-15H,8H2/b9-3+.
What are the key properties of (E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol?
(E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol has a molecular weight of 199.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol is sourced from PubChem (CID 166448656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).