7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

C13H17NO — CID 18331831

IUPAC7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESC=CCNC1CCc2cccc(O)c2C1
InChIInChI=1S/C13H17NO/c1-2-8-14-11-7-6-10-4-3-5-13(15)12(10)9-11/h2-5,11,14-15H,1,6-9H2
InChIKeyYGRVYICNGRCKOP-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.03
Rot. Bonds3

About 7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 18331831) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID18331831
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESC=CCNC1CCc2cccc(O)c2C1
InChIInChI=1S/C13H17NO/c1-2-8-14-11-7-6-10-4-3-5-13(15)12(10)9-11/h2-5,11,14-15H,1,6-9H2
InChIKeyYGRVYICNGRCKOP-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 18331831) is 7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is C=CCNC1CCc2cccc(O)c2C1.
What is the InChIKey of 7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is YGRVYICNGRCKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-8-14-11-7-6-10-4-3-5-13(15)12(10)9-11/h2-5,11,14-15H,1,6-9H2.
What are the key properties of 7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 203.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 18331831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).