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

C16H21NO — CID 10466960

IUPAC(7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESC=CCN[C@@H]1CCc2cccc(O)c2[C@@H]1CC=C
InChIInChI=1S/C16H21NO/c1-3-6-13-14(17-11-4-2)10-9-12-7-5-8-15(18)16(12)13/h3-5,7-8,13-14,17-18H,1-2,6,9-11H2/t13-,14-/m1/s1
InChIKeyAJDDPGPDUSAKBQ-ZIAGYGMSSA-N
MW243.35 g/mol
LogP3.14
Rot. Bonds5

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

(7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 10466960) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID10466960
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESC=CCN[C@@H]1CCc2cccc(O)c2[C@@H]1CC=C
InChIInChI=1S/C16H21NO/c1-3-6-13-14(17-11-4-2)10-9-12-7-5-8-15(18)16(12)13/h3-5,7-8,13-14,17-18H,1-2,6,9-11H2/t13-,14-/m1/s1
InChIKeyAJDDPGPDUSAKBQ-ZIAGYGMSSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.14
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 (7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 10466960) is (7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is C=CCN[C@@H]1CCc2cccc(O)c2[C@@H]1CC=C.
What is the InChIKey of (7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is AJDDPGPDUSAKBQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-6-13-14(17-11-4-2)10-9-12-7-5-8-15(18)16(12)13/h3-5,7-8,13-14,17-18H,1-2,6,9-11H2/t13-,14-/m1/s1.
What are the key properties of (7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
(7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8S)-8-prop-2-enyl-7-(prop-2-enylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 10466960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).